How to get insights from relational data streams in a timely manner is a hot research topic. Data streams can present unique challenges, such as distribution drifts, outliers, emerging classes, and changing features, which have recently been described as open environment challenges for machine learning. While existing studies have been done on incremental learning for data streams, their evaluations are mostly conducted with synthetic datasets. Thus, a natural question is how those open environment challenges look like and how existing incremental learning algorithms perform on real-world relational data streams. To fill this gap, we develop an Open Environment Benchmark named OEBench to evaluate open environment challenges in real-world relational data streams. Specifically, we investigate 55 real-world relational data streams and establish that open environment scenarios are indeed widespread, which presents significant challenges for stream learning algorithms. Through benchmarks with existing incremental learning algorithms, we find that increased data quantity may not consistently enhance the model accuracy when applied in open environment scenarios, where machine learning models can be significantly compromised by missing values, distribution drifts, or anomalies in real-world data streams. The current techniques are insufficient in effectively mitigating these challenges brought by open environments. More researches are needed to address real-world open environment challenges. All datasets and code are open-sourced in https://github.com/sjtudyq/OEBench.  ( 3 min )

The remarkable success of GPT models across various tasks, including toponymy recognition motivates us to assess the performance of the GPT-3 model in the geocoding address parsing task. To ensure that the evaluation more accurately mirrors performance in real-world scenarios with diverse user input qualities and resolve the pressing need for a 'gold standard' evaluation dataset for geocoding systems, we introduce a benchmark dataset of low-quality address descriptions synthesized based on human input patterns mining from actual input logs of a geocoding system in production. This dataset has 21 different input errors and variations; contains over 239,000 address records that are uniquely selected from streets across all U.S. 50 states and D.C.; and consists of three subsets to be used as training, validation, and testing sets. Building on this, we train and gauge the performance of the GPT-3 model in extracting address components, contrasting its performance with transformer-based and LSTM-based models. The evaluation results indicate that Bidirectional LSTM-CRF model has achieved the best performance over these transformer-based models and GPT-3 model. Transformer-based models demonstrate very comparable results compared to the Bidirectional LSTM-CRF model. The GPT-3 model, though trailing in performance, showcases potential in the address parsing task with few-shot examples, exhibiting room for improvement with additional fine-tuning. We open source the code and data of this presented benchmark so that researchers can utilize it for future model development or extend it to evaluate similar tasks, such as document geocoding.  ( 3 min )

Support Vector Machine (SVM) stands out as a prominent machine learning technique widely applied in practical pattern recognition tasks. It achieves binary classification by maximizing the "margin", which represents the minimum distance between instances and the decision boundary. Although many efforts have been dedicated to expanding SVM for multi-class case through strategies such as one versus one and one versus the rest, satisfactory solutions remain to be developed. In this paper, we propose a novel method for multi-class SVM that incorporates pairwise class loss considerations and maximizes the minimum margin. Adhering to this concept, we embrace a new formulation that imparts heightened flexibility to multi-class SVM. Furthermore, the correlations between the proposed method and multiple forms of multi-class SVM are analyzed. The proposed regularizer, akin to the concept of "margin", can serve as a seamless enhancement over the softmax in deep learning, providing guidance for network parameter learning. Empirical evaluations demonstrate the effectiveness and superiority of our proposed method over existing multi-classification methods.Code is available at https://github.com/zz-haooo/M3SVM.  ( 2 min )

The reconstruction of images from their corresponding noisy Radon transform is a typical example of an ill-posed linear inverse problem as arising in the application of computerized tomography (CT). As the (naive) solution does not depend on the measured data continuously, regularization is needed to re-establish a continuous dependence. In this work, we investigate simple, but yet still provably convergent approaches to learning linear regularization methods from data. More specifically, we analyze two approaches: One generic linear regularization that learns how to manipulate the singular values of the linear operator in an extension of our previous work, and one tailored approach in the Fourier domain that is specific to CT-reconstruction. We prove that such approaches become convergent regularization methods as well as the fact that the reconstructions they provide are typically much smoother than the training data they were trained on. Finally, we compare the spectral as well as the Fourier-based approaches for CT-reconstruction numerically, discuss their advantages and disadvantages and investigate the effect of discretization errors at different resolutions.  ( 2 min )

The primary contribution of this paper is new methods for reducing communication in the sampling step for distributed GNN training. Here, we propose a matrix-based bulk sampling approach that expresses sampling as a sparse matrix multiplication (SpGEMM) and samples multiple minibatches at once. When the input graph topology does not fit on a single device, our method distributes the graph and use communication-avoiding SpGEMM algorithms to scale GNN minibatch sampling, enabling GNN training on much larger graphs than those that can fit into a single device memory. When the input graph topology (but not the embeddings) fits in the memory of one GPU, our approach (1) performs sampling without communication, (2) amortizes the overheads of sampling a minibatch, and (3) can represent multiple sampling algorithms by simply using different matrix constructions. In addition to new methods for sampling, we show that judiciously replicating feature data with a simple all-to-all exchange can outperform current methods for the feature extraction step in distributed GNN training. We provide experimental results on the largest Open Graph Benchmark (OGB) datasets on $128$ GPUs, and show that our pipeline is $2.5\times$ faster Quiver (a distributed extension to PyTorch-Geometric) on a $3$-layer GraphSAGE network. On datasets outside of OGB, we show a $8.46\times$ speedup on $128$ GPUs in-per epoch time. Finally, we show scaling when the graph is distributed across GPUs and scaling for both node-wise and layer-wise sampling algorithms  ( 3 min )

Multi-agent reinforcement learning (MARL) research is inherently computationally expensive and it is often difficult to obtain a sufficient number of experiment samples to test hypotheses and make robust statistical claims. Furthermore, MARL algorithms are typically complex in their design and can be tricky to implement correctly. These aspects of MARL present a difficult challenge when it comes to creating useful software for advanced research. Our criteria for such software is that it should be simple enough to use to implement new ideas quickly, while at the same time be scalable and fast enough to test those ideas in a reasonable amount of time. In this preliminary technical report, we introduce Mava, a research library for MARL written purely in JAX, that aims to fulfill these criteria. We discuss the design and core features of Mava, and demonstrate its use and performance across a variety of environments. In particular, we show Mava's substantial speed advantage, with improvements of 10-100x compared to other popular MARL frameworks, while maintaining strong performance. This allows for researchers to test ideas in a few minutes instead of several hours. Finally, Mava forms part of an ecosystem of libraries that seamlessly integrate with each other to help facilitate advanced research in MARL. We hope Mava will benefit the community and help drive scientifically sound and statistically robust research in the field. The open-source repository for Mava is available at https://github.com/instadeepai/Mava.  ( 3 min )

Out-of-distribution (OOD) generalization is a complicated problem due to the idiosyncrasies of possible distribution shifts between training and test domains. Most benchmarks employ diverse datasets to address this issue; however, the degree of the distribution shift between the training domains and the test domains of each dataset remains largely fixed. This may lead to biased conclusions that either underestimate or overestimate the actual OOD performance of a model. Our study delves into a more nuanced evaluation setting that covers a broad range of shift degrees. We show that the robustness of models can be quite brittle and inconsistent under different degrees of distribution shifts, and therefore one should be more cautious when drawing conclusions from evaluations under a limited range of degrees. In addition, we observe that large-scale pre-trained models, such as CLIP, are sensitive to even minute distribution shifts of novel downstream tasks. This indicates that while pre-trained representations may help improve downstream in-distribution performance, they could have minimal or even adverse effects on generalization in certain OOD scenarios of the downstream task if not used properly. In light of these findings, we encourage future research to conduct evaluations across a broader range of shift degrees whenever possible.  ( 3 min )

Dementia diagnosis requires a series of different testing methods, which is complex and time-consuming. Early detection of dementia is crucial as it can prevent further deterioration of the condition. This paper utilizes a speech recognition model to construct a dementia assessment system tailored for Mandarin speakers during the picture description task. By training an attention-based speech recognition model on voice data closely resembling real-world scenarios, we have significantly enhanced the model's recognition capabilities. Subsequently, we extracted the encoder from the speech recognition model and added a linear layer for dementia assessment. We collected Mandarin speech data from 99 subjects and acquired their clinical assessments from a local hospital. We achieved an accuracy of 92.04% in Alzheimer's disease detection and a mean absolute error of 9% in clinical dementia rating score prediction.  ( 2 min )

The standard client selection algorithms for Federated Learning (FL) are often unbiased and involve uniform random sampling of clients. This has been proven sub-optimal for fast convergence under practical settings characterized by significant heterogeneity in data distribution, computing, and communication resources across clients. For applications having timing constraints due to limited communication opportunities with the parameter server (PS), the client selection strategy is critical to complete model training within the fixed budget of communication rounds. To address this, we develop a biased client selection strategy, GreedyFed, that identifies and greedily selects the most contributing clients in each communication round. This method builds on a fast approximation algorithm for the Shapley Value at the PS, making the computation tractable for real-world applications with many clients. Compared to various client selection strategies on several real-world datasets, GreedyFed demonstrates fast and stable convergence with high accuracy under timing constraints and when imposing a higher degree of heterogeneity in data distribution, systems constraints, and privacy requirements.  ( 2 min )

Vegetation structure mapping is critical for understanding the global carbon cycle and monitoring nature-based approaches to climate adaptation and mitigation. Repeated measurements of these data allow for the observation of deforestation or degradation of existing forests, natural forest regeneration, and the implementation of sustainable agricultural practices like agroforestry. Assessments of tree canopy height and crown projected area at a high spatial resolution are also important for monitoring carbon fluxes and assessing tree-based land uses, since forest structures can be highly spatially heterogeneous, especially in agroforestry systems. Very high resolution satellite imagery (less than one meter (1m) Ground Sample Distance) makes it possible to extract information at the tree level while allowing monitoring at a very large scale. This paper presents the first high-resolution canopy height map concurrently produced for multiple sub-national jurisdictions. Specifically, we produce very high resolution canopy height maps for the states of California and Sao Paulo, a significant improvement in resolution over the ten meter (10m) resolution of previous Sentinel / GEDI based worldwide maps of canopy height. The maps are generated by the extraction of features from a self-supervised model trained on Maxar imagery from 2017 to 2020, and the training of a dense prediction decoder against aerial lidar maps. We also introduce a post-processing step using a convolutional network trained on GEDI observations. We evaluate the proposed maps with set-aside validation lidar data as well as by comparing with other remotely sensed maps and field-collected data, and find our model produces an average Mean Absolute Error (MAE) of 2.8 meters and Mean Error (ME) of 0.6 meters.  ( 3 min )

Markerless methods for animal posture tracking have been rapidly developing recently, but frameworks and benchmarks for tracking large animal groups in 3D are still lacking. To overcome this gap in the literature, we present 3D-MuPPET, a framework to estimate and track 3D poses of up to 10 pigeons at interactive speed using multiple camera views. We train a pose estimator to infer 2D keypoints and bounding boxes of multiple pigeons, then triangulate the keypoints to 3D. For identity matching of individuals in all views, we first dynamically match 2D detections to global identities in the first frame, then use a 2D tracker to maintain IDs across views in subsequent frames. We achieve comparable accuracy to a state of the art 3D pose estimator in terms of median error and Percentage of Correct Keypoints. Additionally, we benchmark the inference speed of 3D-MuPPET, with up to 9.45 fps in 2D and 1.89 fps in 3D, and perform quantitative tracking evaluation, which yields encouraging results. Finally, we showcase two novel applications for 3D-MuPPET. First, we train a model with data of single pigeons and achieve comparable results in 2D and 3D posture estimation for up to 5 pigeons. Second, we show that 3D-MuPPET also works in outdoors without additional annotations from natural environments. Both use cases simplify the domain shift to new species and environments, largely reducing annotation effort needed for 3D posture tracking. To the best of our knowledge we are the first to present a framework for 2D/3D animal posture and trajectory tracking that works in both indoor and outdoor environments for up to 10 individuals. We hope that the framework can open up new opportunities in studying animal collective behaviour and encourages further developments in 3D multi-animal posture tracking.  ( 3 min )

One of the challenges in deploying a machine learning model is that the model's performance degrades as the operating environment changes. To maintain the performance, streaming active learning is used, in which the model is retrained by adding a newly annotated sample to the training dataset if the prediction of the sample is not certain enough. Although many streaming active learning methods have been proposed for classification, few efforts have been made for regression problems, which are often handled in the industrial field. In this paper, we propose to use the regression-via-classification framework for streaming active learning for regression. Regression-via-classification transforms regression problems into classification problems so that streaming active learning methods proposed for classification problems can be applied directly to regression problems. Experimental validation on four real data sets shows that the proposed method can perform regression with higher accuracy at the same annotation cost.  ( 2 min )

A common approach to learning mobile health (mHealth) intervention policies is linear Thompson sampling. Two desirable mHealth policy features are (1) pooling information across individuals and time and (2) incorporating a time-varying baseline reward. Previous approaches pooled information across individuals but not time, failing to capture trends in treatment effects over time. In addition, these approaches did not explicitly model the baseline reward, which limited the ability to precisely estimate the parameters in the differential reward model. In this paper, we propose a novel Thompson sampling algorithm, termed ''DML-TS-NNR'' that leverages (1) nearest-neighbors to efficiently pool information on the differential reward function across users and time and (2) the Double Machine Learning (DML) framework to explicitly model baseline rewards and stay agnostic to the supervised learning algorithms used. By explicitly modeling baseline rewards, we obtain smaller confidence sets for the differential reward parameters. We offer theoretical guarantees on the pseudo-regret, which are supported by empirical results. Importantly, the DML-TS-NNR algorithm demonstrates robustness to potential misspecifications in the baseline reward model.  ( 2 min )

The blessing of ubiquitous data also comes with a curse: the communication, storage, and labeling of massive, mostly redundant datasets. We seek to solve this problem at its core, collecting only valuable data and throwing out the rest via submodular maximization. Specifically, we develop algorithms for the online and distributed version of the problem, where data selection occurs in an uncoordinated fashion across multiple data streams. We design a general and flexible core selection routine for our algorithms which, given any stream of data, any assessment of its value, and any formulation of its selection cost, extracts the most valuable subset of the stream up to a constant factor while using minimal memory. Notably, our methods have the same theoretical guarantees as their offline counterparts, and, as far as we know, provide the first guarantees for online distributed submodular optimization in the literature. Finally, in learning tasks on ImageNet and MNIST, we show that our selection methods outperform random selection by $5-20\%$.  ( 2 min )

Even though deep speaker models have demonstrated impressive accuracy in speaker verification tasks, this often comes at the expense of increased model size and computation time, presenting challenges for deployment in resource-constrained environments. Our research focuses on addressing this limitation through the development of small footprint deep speaker embedding extraction using knowledge distillation. While previous work in this domain has concentrated on speaker embedding extraction at the utterance level, our approach involves amalgamating embeddings from different levels of the x-vector model (teacher network) to train a compact student network. The results highlight the significance of frame-level information, with the student models exhibiting a remarkable size reduction of 85%-91% compared to their teacher counterparts, depending on the size of the teacher embeddings. Notably, by concatenating teacher embeddings, we achieve student networks that maintain comparable performance to the teacher while enjoying a substantial 75% reduction in model size. These findings and insights extend to other x-vector variants, underscoring the broad applicability of our approach.  ( 2 min )

Recent large language models (LLM) exhibit sub-optimal performance on low-resource languages, as the training data of these models is usually dominated by English and other high-resource languages. Furthermore, it is challenging to train models for low-resource languages, especially from scratch, due to a lack of high quality training data. Adapting pretrained LLMs reduces the need for data in the new language while also providing cross lingual transfer capabilities. However, naively adapting to new languages leads to catastrophic forgetting and poor tokenizer efficiency. In this work, we study how to efficiently adapt any existing pretrained LLM to a new language without running into these issues. In particular, we improve the encoding efficiency of the tokenizer by adding new tokens from the target language and study the data mixing recipe to mitigate forgetting. Our experiments on adapting an English LLM to Hungarian and Thai show that our recipe can reach better performance than open source models on the target language, with minimal regressions on English.  ( 2 min )

Many multivariate time series anomaly detection frameworks have been proposed and widely applied. However, most of these frameworks do not consider intrinsic relationships between variables in multivariate time series data, thus ignoring the causal relationship among variables and degrading anomaly detection performance. This work proposes a novel framework called CGAD, an entropy Causal Graph for multivariate time series Anomaly Detection. CGAD utilizes transfer entropy to construct graph structures that unveil the underlying causal relationships among time series data. Weighted graph convolutional networks combined with causal convolutions are employed to model both the causal graph structures and the temporal patterns within multivariate time series data. Furthermore, CGAD applies anomaly scoring, leveraging median absolute deviation-based normalization to improve the robustness of the anomaly identification process. Extensive experiments demonstrate that CGAD outperforms state-of-the-art methods on real-world datasets with a 15% average improvement based on three different multivariate time series anomaly detection metrics.  ( 2 min )

The recognition of abstracts is crucial for effectively locating the content and clarifying the article. Existing move recognition algorithms lack the ability to learn word position information to obtain contextual semantics. This paper proposes a novel enhanced move recognition algorithm with an improved pre-trained model and a gated network with attention mechanism for unstructured abstracts of Chinese scientific and technological papers. The proposed algorithm first performs summary data segmentation and vocabulary training. The EP-ERNIE$\_$AT-GRU framework is leveraged to incorporate word positional information, facilitating deep semantic learning and targeted feature extraction. Experimental results demonstrate that the proposed algorithm achieves 13.37$\%$ higher accuracy on the split dataset than on the original dataset and a 7.55$\%$ improvement in accuracy over the basic comparison model.  ( 2 min )

Agricultural research is essential for increasing food production to meet the requirements of an increasing population in the coming decades. Recently, satellite technology has been improving rapidly and deep learning has seen much success in generic computer vision tasks and many application areas which presents an important opportunity to improve analysis of agricultural land. Here we present a systematic review of 150 studies to find the current uses of deep learning on satellite imagery for agricultural research. Although we identify 5 categories of agricultural monitoring tasks, the majority of the research interest is in crop segmentation and yield prediction. We found that, when used, modern deep learning methods consistently outperformed traditional machine learning across most tasks; the only exception was that Long Short-Term Memory (LSTM) Recurrent Neural Networks did not consistently outperform Random Forests (RF) for yield prediction. The reviewed studies have largely adopted methodologies from generic computer vision, except for one major omission: benchmark datasets are not utilised to evaluate models across studies, making it difficult to compare results. Additionally, some studies have specifically utilised the extra spectral resolution available in satellite imagery, but other divergent properties of satellite images - such as the hugely different scales of spatial patterns - are not being taken advantage of in the reviewed studies.  ( 3 min )

Recent advances in learning techniques have garnered attention for their applicability to a diverse range of real-world sequential decision-making problems. Yet, many practical applications have critical constraints for operation in real environments. Most learning solutions often neglect the risk of failing to meet these constraints, hindering their implementation in real-world contexts. In this paper, we propose a risk-aware decision-making framework for contextual bandit problems, accommodating constraints and continuous action spaces. Our approach employs an actor multi-critic architecture, with each critic characterizing the distribution of performance and constraint metrics. Our framework is designed to cater to various risk levels, effectively balancing constraint satisfaction against performance. To demonstrate the effectiveness of our approach, we first compare it against state-of-the-art baseline methods in a synthetic environment, highlighting the impact of intrinsic environmental noise across different risk configurations. Finally, we evaluate our framework in a real-world use case involving a 5G mobile network where only our approach consistently satisfies the system constraint (a signal processing reliability target) with a small performance toll (8.5% increase in power consumption).  ( 2 min )

Federated Learning (FL) involves training a model over a dataset distributed among clients, with the constraint that each client's dataset is localized and possibly heterogeneous. In FL, small and noisy datasets are common, highlighting the need for well-calibrated models that represent the uncertainty of predictions. The closest FL techniques to achieving such goals are the Bayesian FL methods which collect parameter samples from local posteriors, and aggregate them to approximate the global posterior. To improve scalability for larger models, one common Bayesian approach is to approximate the global predictive posterior by multiplying local predictive posteriors. In this work, we demonstrate that this method gives systematically overconfident predictions, and we remedy this by proposing $\beta$-Predictive Bayes, a Bayesian FL algorithm that interpolates between a mixture and product of the predictive posteriors, using a tunable parameter $\beta$. This parameter is tuned to improve the global ensemble's calibration, before it is distilled to a single model. Our method is evaluated on a variety of regression and classification datasets to demonstrate its superiority in calibration to other baselines, even as data heterogeneity increases. Code available at https://github.com/hasanmohsin/betaPredBayes_FL  ( 2 min )

Generative models inspired by dynamical transport of measure -- such as flows and diffusions -- construct a continuous-time map between two probability densities. Conventionally, one of these is the target density, only accessible through samples, while the other is taken as a simple base density that is data-agnostic. In this work, using the framework of stochastic interpolants, we formalize how to \textit{couple} the base and the target densities, whereby samples from the base are computed conditionally given samples from the target in a way that is different from (but does preclude) incorporating information about class labels or continuous embeddings. This enables us to construct dynamical transport maps that serve as conditional generative models. We show that these transport maps can be learned by solving a simple square loss regression problem analogous to the standard independent setting. We demonstrate the usefulness of constructing dependent couplings in practice through experiments in super-resolution and in-painting.  ( 2 min )

While federated learning is promising for privacy-preserving collaborative learning without revealing local data, it remains vulnerable to white-box attacks and struggles to adapt to heterogeneous clients. Federated distillation (FD), built upon knowledge distillation--an effective technique for transferring knowledge from a teacher model to student models--emerges as an alternative paradigm, which provides enhanced privacy guarantees and addresses model heterogeneity. Nevertheless, challenges arise due to variations in local data distributions and the absence of a well-trained teacher model, which leads to misleading and ambiguous knowledge sharing that significantly degrades model performance. To address these issues, this paper proposes a selective knowledge sharing mechanism for FD, termed Selective-FD. It includes client-side selectors and a server-side selector to accurately and precisely identify knowledge from local and ensemble predictions, respectively. Empirical studies, backed by theoretical insights, demonstrate that our approach enhances the generalization capabilities of the FD framework and consistently outperforms baseline methods.  ( 2 min )

The influx of massive amounts of data from current and upcoming cosmological surveys necessitates compression schemes that can efficiently summarize the data with minimal loss of information. We introduce a method that leverages the paradigm of self-supervised machine learning in a novel manner to construct representative summaries of massive datasets using simulation-based augmentations. Deploying the method on hydrodynamical cosmological simulations, we show that it can deliver highly informative summaries, which can be used for a variety of downstream tasks, including precise and accurate parameter inference. We demonstrate how this paradigm can be used to construct summary representations that are insensitive to prescribed systematic effects, such as the influence of baryonic physics. Our results indicate that self-supervised machine learning techniques offer a promising new approach for compression of cosmological data as well its analysis.  ( 2 min )

We present a numerical method to learn an accurate predictive model for an unknown stochastic dynamical system from its trajectory data. The method seeks to approximate the unknown flow map of the underlying system. It employs the idea of autoencoder to identify the unobserved latent random variables. In our approach, we design an encoding function to discover the latent variables, which are modeled as unit Gaussian, and a decoding function to reconstruct the future states of the system. Both the encoder and decoder are expressed as deep neural networks (DNNs). Once the DNNs are trained by the trajectory data, the decoder serves as a predictive model for the unknown stochastic system. Through an extensive set of numerical examples, we demonstrate that the method is able to produce long-term system predictions by using short bursts of trajectory data. It is also applicable to systems driven by non-Gaussian noises.  ( 2 min )

Many functions characterising physical systems are additively separable. This is the case, for instance, of mechanical Hamiltonian functions in physics, population growth equations in biology, and consumer preference and utility functions in economics. We consider the scenario in which a surrogate of a function is to be tested for additive separability. The detection that the surrogate is additively separable can be leveraged to improve further learning. Hence, it is beneficial to have the ability to test for such separability in surrogates. The mathematical approach is to test if the mixed partial derivative of the surrogate is zero; or empirically, lower than a threshold. We present and comparatively and empirically evaluate the eight methods to compute the mixed partial derivative of a surrogate function.  ( 2 min )

Domain Generalized Semantic Segmentation (DGSS) deals with training a model on a labeled source domain with the aim of generalizing to unseen domains during inference. Existing DGSS methods typically effectuate robust features by means of Domain Randomization (DR). Such an approach is often limited as it can only account for style diversification and not content. In this work, we take an orthogonal approach to DGSS and propose to use an assembly of CoLlaborative FOUndation models for Domain Generalized Semantic Segmentation (CLOUDS). In detail, CLOUDS is a framework that integrates FMs of various kinds: (i) CLIP backbone for its robust feature representation, (ii) generative models to diversify the content, thereby covering various modes of the possible target distribution, and (iii) Segment Anything Model (SAM) for iteratively refining the predictions of the segmentation model. Extensive experiments show that our CLOUDS excels in adapting from synthetic to real DGSS benchmarks and under varying weather conditions, notably outperforming prior methods by 5.6% and 6.7% on averaged miou, respectively. The code is available at : https://github.com/yasserben/CLOUDS  ( 2 min )

Compressive learning is an emerging approach to drastically reduce the memory footprint of large-scale learning, by first summarizing a large dataset into a low-dimensional sketch vector, and then decoding from this sketch the latent information needed for learning. In light of recent progress on information preservation guarantees for sketches based on random features, a major objective is to design easy-to-tune algorithms (called decoders) to robustly and efficiently extract this information. To address the underlying non-convex optimization problems, various heuristics have been proposed. In the case of compressive clustering, the standard heuristic is CL-OMPR, a variant of sliding Frank-Wolfe. Yet, CL-OMPR is hard to tune, and the examination of its robustness was overlooked. In this work, we undertake a scrutinized examination of CL-OMPR to circumvent its limitations. In particular, we show how this algorithm can fail to recover the clusters even in advantageous scenarios. To gain insight, we show how the deficiencies of this algorithm can be attributed to optimization difficulties related to the structure of a correlation function appearing at core steps of the algorithm. To address these limitations, we propose an alternative decoder offering substantial improvements over CL-OMPR. Its design is notably inspired from the mean shift algorithm, a classic approach to detect the local maxima of kernel density estimators. The proposed algorithm can extract clustering information from a sketch of the MNIST dataset that is 10 times smaller than previously.  ( 3 min )

Abstract Visual Reasoning (AVR) comprises a wide selection of various problems similar to those used in human IQ tests. Recent years have brought dynamic progress in solving particular AVR tasks, however, in the contemporary literature AVR problems are largely dealt with in isolation, leading to highly specialized task-specific methods. With the aim of developing universal learning systems in the AVR domain, we propose the unified model for solving Single-Choice Abstract visual Reasoning tasks (SCAR), capable of solving various single-choice AVR tasks, without making any a priori assumptions about the task structure, in particular the number and location of panels. The proposed model relies on a novel Structure-Aware dynamic Layer (SAL), which adapts its weights to the structure of the considered AVR problem. Experiments conducted on Raven's Progressive Matrices, Visual Analogy Problems, and Odd One Out problems show that SCAR (SAL-based models, in general) effectively solves diverse AVR tasks, and its performance is on par with the state-of-the-art task-specific baselines. What is more, SCAR demonstrates effective knowledge reuse in multi-task and transfer learning settings. To our knowledge, this work is the first successful attempt to construct a general single-choice AVR solver relying on self-configurable architecture and unified solving method. With this work we aim to stimulate and foster progress on task-independent research paths in the AVR domain, with the long-term goal of development of a general AVR solver.  ( 3 min )

In modern machine learning problems we deal with datasets that are either distributed by nature or potentially large for which distributing the computations is usually a standard way to proceed, since centralized algorithms are in general ineffective. We propose a distributed learning approach for mixtures of experts (MoE) models with an aggregation strategy to construct a reduction estimator from local estimators fitted parallelly to distributed subsets of the data. The aggregation is based on an optimal minimization of an expected transportation divergence between the large MoE composed of local estimators and the unknown desired MoE model. We show that the provided reduction estimator is consistent as soon as the local estimators to be aggregated are consistent, and its construction is performed by a proposed majorization-minimization (MM) algorithm that is computationally effective. We study the statistical and numerical properties for the proposed reduction estimator on experiments that demonstrate its performance compared to namely the global estimator constructed in a centralized way from the full dataset. For some situations, the computation time is more than ten times faster, for a comparable performance. Our source codes are publicly available on Github.  ( 2 min )

Graph neural networks (GNNs) have shown advantages in graph-based analysis tasks. However, most existing methods have the homogeneity assumption and show poor performance on heterophilic graphs, where the linked nodes have dissimilar features and different class labels, and the semantically related nodes might be multi-hop away. To address this limitation, this paper presents GraphRARE, a general framework built upon node relative entropy and deep reinforcement learning, to strengthen the expressive capability of GNNs. An innovative node relative entropy, which considers node features and structural similarity, is used to measure mutual information between node pairs. In addition, to avoid the sub-optimal solutions caused by mixing useful information and noises of remote nodes, a deep reinforcement learning-based algorithm is developed to optimize the graph topology. This algorithm selects informative nodes and discards noisy nodes based on the defined node relative entropy. Extensive experiments are conducted on seven real-world datasets. The experimental results demonstrate the superiority of GraphRARE in node classification and its capability to optimize the original graph topology.  ( 2 min )

Peer learning is a novel high-level reinforcement learning framework for agents learning in groups. While standard reinforcement learning trains an individual agent in trial-and-error fashion, all on its own, peer learning addresses a related setting in which a group of agents, i.e., peers, learns to master a task simultaneously together from scratch. Peers are allowed to communicate only about their own states and actions recommended by others: "What would you do in my situation?". Our motivation is to study the learning behavior of these agents. We formalize the teacher selection process in the action advice setting as a multi-armed bandit problem and therefore highlight the need for exploration. Eventually, we analyze the learning behavior of the peers and observe their ability to rank the agents' performance within the study group and understand which agents give reliable advice. Further, we compare peer learning with single agent learning and a state-of-the-art action advice baseline. We show that peer learning is able to outperform single-agent learning and the baseline in several challenging discrete and continuous OpenAI Gym domains. Doing so, we also show that within such a framework complex policies from action recommendations beyond discrete action spaces can evolve.  ( 2 min )

While coresets have been growing in terms of their application, barring few exceptions, they have mostly been limited to unsupervised settings. We consider supervised classification problems, and non-decomposable evaluation measures in such settings. We show that stratified uniform sampling based coresets have excellent empirical performance that are backed by theoretical guarantees too. We focus on the F1 score and Matthews Correlation Coefficient, two widely used non-decomposable objective functions that are nontrivial to optimize for and show that uniform coresets attain a lower bound for coreset size, and have good empirical performance, comparable with ``smarter'' coreset construction strategies.  ( 2 min )

Many recent theoretical works on \emph{meta-learning} aim to achieve guarantees in leveraging similar representational structures from related tasks towards simplifying a target task. Importantly, the main aim in theory works on the subject is to understand the extent to which convergence rates -- in learning a common representation -- \emph{may scale with the number $N$ of tasks} (as well as the number of samples per task). First steps in this setting demonstrate this property when both the shared representation amongst tasks, and task-specific regression functions, are linear. This linear setting readily reveals the benefits of aggregating tasks, e.g., via averaging arguments. In practice, however, the representation is often highly nonlinear, introducing nontrivial biases in each task that cannot easily be averaged out as in the linear case. In the present work, we derive theoretical guarantees for meta-learning with nonlinear representations. In particular, assuming the shared nonlinearity maps to an infinite-dimensional RKHS, we show that additional biases can be mitigated with careful regularization that leverages the smoothness of task-specific regression functions,  ( 2 min )

A single language model (LM), despite aligning well with an average labeler through reinforcement learning from human feedback (RLHF), may not universally suit diverse human preferences. Recent approaches therefore opt for customization by collecting multi-dimensional feedback and creating distinct reward models (RMs) for each dimension (e.g., helpfulness, harmlessness, or honesty). Different LMs can then be optimized for different preferences using multi-objective RLHF (MORLHF) with different reward weightings. Yet, RL fine-tuning is unstable and resource-heavy, especially for MORLHF with diverse and usually conflicting objectives. In this paper, we present Multi-Objective Direct Preference Optimization (MODPO), an RL-free algorithm that extends Direct Preference Optimization (DPO) for multiple alignment objectives with minimal overheads. Essentially, MODPO folds language modeling directly into reward modeling, training LMs as implicit collective reward models (cRMs) that combine all objectives with specific weightings. While theoretically guaranteed to produce the same optimal solutions as MORLHF, MODPO is practically more stable and computationally efficient. Empirical results from safety alignment and long-form question answering confirm that MODPO matches or outperforms existing methods, consistently producing a Pareto front of LMs that cater to diverse preferences with 3 times less computational resources compared to MORLHF.  ( 2 min )

Weather forecasting is a long-standing computational challenge with direct societal and economic impacts. This task involves a large amount of continuous data collection and exhibits rich spatiotemporal dependencies over long periods, making it highly suitable for deep learning models. In this paper, we apply pre-training techniques to weather forecasting and propose W-MAE, a Weather model with Masked AutoEncoder pre-training for weather forecasting. W-MAE is pre-trained in a self-supervised manner to reconstruct spatial correlations within meteorological variables. On the temporal scale, we fine-tune the pre-trained W-MAE to predict the future states of meteorological variables, thereby modeling the temporal dependencies present in weather data. We conduct our experiments using the fifth-generation ECMWF Reanalysis (ERA5) data, with samples selected every six hours. Experimental results show that our W-MAE framework offers three key benefits: 1) when predicting the future state of meteorological variables, the utilization of our pre-trained W-MAE can effectively alleviate the problem of cumulative errors in prediction, maintaining stable performance in the short-to-medium term; 2) when predicting diagnostic variables (e.g., total precipitation), our model exhibits significant performance advantages over FourCastNet; 3) Our task-agnostic pre-training schema can be easily integrated with various task-specific models. When our pre-training framework is applied to FourCastNet, it yields an average 20% performance improvement in Anomaly Correlation Coefficient (ACC).  ( 3 min )

Theoretical guarantees in reinforcement learning (RL) are known to suffer multiplicative blow-up factors with respect to the misspecification error of function approximation. Yet, the nature of such \emph{approximation factors} -- especially their optimal form in a given learning problem -- is poorly understood. In this paper we study this question in linear off-policy value function estimation, where many open questions remain. We study the approximation factor in a broad spectrum of settings, such as with the weighted $L_2$-norm (where the weighting is the offline state distribution), the $L_\infty$ norm, the presence vs. absence of state aliasing, and full vs. partial coverage of the state space. We establish the optimal asymptotic approximation factors (up to constants) for all of these settings. In particular, our bounds identify two instance-dependent factors for the $L_2(\mu)$ norm and only one for the $L_\infty$ norm, which are shown to dictate the hardness of off-policy evaluation under misspecification.  ( 2 min )

High-resolution image generation with Generative Artificial Intelligence (GenAI) has immense potential but, due to the enormous capital investment required for training, it is increasingly centralised to a few large corporations, and hidden behind paywalls. This paper aims to democratise high-resolution GenAI by advancing the frontier of high-resolution generation while remaining accessible to a broad audience. We demonstrate that existing Latent Diffusion Models (LDMs) possess untapped potential for higher-resolution image generation. Our novel DemoFusion framework seamlessly extends open-source GenAI models, employing Progressive Upscaling, Skip Residual, and Dilated Sampling mechanisms to achieve higher-resolution image generation. The progressive nature of DemoFusion requires more passes, but the intermediate results can serve as "previews", facilitating rapid prompt iteration.  ( 2 min )

We study monotone submodular maximization under general matroid constraints in the online setting. We prove that online optimization of a large class of submodular functions, namely, weighted threshold potential functions, reduces to online convex optimization (OCO). This is precisely because functions in this class admit a concave relaxation; as a result, OCO policies, coupled with an appropriate rounding scheme, can be used to achieve sublinear regret in the combinatorial setting. We show that our reduction extends to many different versions of the online learning problem, including the dynamic regret, bandit, and optimistic-learning settings.  ( 2 min )

Modeling of real-world biological multi-agents is a fundamental problem in various scientific and engineering fields. Reinforcement learning (RL) is a powerful framework to generate flexible and diverse behaviors in cyberspace; however, when modeling real-world biological multi-agents, there is a domain gap between behaviors in the source (i.e., real-world data) and the target (i.e., cyberspace for RL), and the source environment parameters are usually unknown. In this paper, we propose a method for adaptive action supervision in RL from real-world demonstrations in multi-agent scenarios. We adopt an approach that combines RL and supervised learning by selecting actions of demonstrations in RL based on the minimum distance of dynamic time warping for utilizing the information of the unknown source dynamics. This approach can be easily applied to many existing neural network architectures and provide us with an RL model balanced between reproducibility as imitation and generalization ability to obtain rewards in cyberspace. In the experiments, using chase-and-escape and football tasks with the different dynamics between the unknown source and target environments, we show that our approach achieved a balance between the reproducibility and the generalization ability compared with the baselines. In particular, we used the tracking data of professional football players as expert demonstrations in football and show successful performances despite the larger gap between behaviors in the source and target environments than the chase-and-escape task.  ( 3 min )

As a necessary process in drug development, finding a drug compound that can selectively bind to a specific protein is highly challenging and costly. Drug-target affinity (DTA), which represents the strength of drug-target interaction (DTI), has played an important role in the DTI prediction task over the past decade. Although deep learning has been applied to DTA-related research, existing solutions ignore fundamental correlations between molecular substructures in molecular representation learning of drug compound molecules/protein targets. Moreover, traditional methods lack the interpretability of the DTA prediction process. This results in missing feature information of intermolecular interactions, thereby affecting prediction performance. Therefore, this paper proposes a DTA prediction method with interactive learning and an autoencoder mechanism. The proposed model enhances the corresponding ability to capture the feature information of a single molecular sequence by the drug/protein molecular representation learning module and supplements the information interaction between molecular sequence pairs by the interactive information learning module. The DTA value prediction module fuses the drug-target pair interaction information to output the predicted value of DTA. Additionally, this paper theoretically proves that the proposed method maximizes evidence lower bound (ELBO) for the joint distribution of the DTA prediction model, which enhances the consistency of the probability distribution between the actual value and the predicted value. The experimental results confirm mutual transformer-drug target affinity (MT-DTA) achieves better performance than other comparative methods.  ( 3 min )

Climate change mitigation in urban mobility requires policies reconfiguring urban form to increase accessibility and facilitate low-carbon modes of transport. However, current policy research has insufficiently assessed urban form effects on car travel at three levels: (1) Causality -- Can causality be established beyond theoretical and correlation-based analyses? (2) Generalizability -- Do relationships hold across different cities and world regions? (3) Context specificity -- How do relationships vary across neighborhoods of a city? Here, we address all three gaps via causal graph discovery and explainable machine learning to detect urban form effects on intra-city car travel, based on mobility data of six cities across three continents. We find significant causal effects of urban form on trip emissions and inter-feature effects, which had been neglected in previous work. Our results demonstrate that destination accessibility matters most overall, while low density and low connectivity also sharply increase CO$_2$ emissions. These general trends are similar across cities but we find idiosyncratic effects that can lead to substantially different recommendations. In more monocentric cities, we identify spatial corridors -- about 10--50 km from the city center -- where subcenter-oriented development is more relevant than increased access to the main center. Our work demonstrates a novel application of machine learning that enables new research addressing the needs of causality, generalizability, and contextual specificity for scaling evidence-based urban climate solutions.  ( 3 min )

We present a modular approach to \emph{reinforcement learning} (RL) in environments consisting of simpler components evolving in parallel. A monolithic view of such modular environments may be prohibitively large to learn, or may require unrealizable communication between the components in the form of a centralized controller. Our proposed approach is based on the assume-guarantee paradigm where the optimal control for the individual components is synthesized in isolation by making \emph{assumptions} about the behaviors of neighboring components, and providing \emph{guarantees} about their own behavior. We express these \emph{assume-guarantee contracts} as regular languages and provide automatic translations to scalar rewards to be used in RL. By combining local probabilities of satisfaction for each component, we provide a lower bound on the probability of satisfaction of the complete system. By solving a Markov game for each component, RL can produce a controller for each component that maximizes this lower bound. The controller utilizes the information it receives through communication, observations, and any knowledge of a coarse model of other agents. We experimentally demonstrate the efficiency of the proposed approach on a variety of case studies.  ( 2 min )

As quantum chemical properties have a dependence on their geometries, graph neural networks (GNNs) using 3D geometric information have achieved high prediction accuracy in many tasks. However, they often require 3D geometries obtained from high-level quantum mechanical calculations, which are practically infeasible, limiting their applicability to real-world problems. To tackle this, we propose a new training framework, GeoTMI, that employs denoising process to predict properties accurately using easy-to-obtain geometries (corrupted versions of correct geometries, such as those obtained from low-level calculations). Our starting point was the idea that the correct geometry is the best description of the target property. Hence, to incorporate information of the correct, GeoTMI aims to maximize mutual information between three variables: the correct and the corrupted geometries and the property. GeoTMI also explicitly updates the corrupted input to approach the correct geometry as it passes through the GNN layers, contributing to more effective denoising. We investigated the performance of the proposed method using 3D GNNs for three prediction tasks: molecular properties, a chemical reaction property, and relaxed energy in a heterogeneous catalytic system. Our results showed consistent improvements in accuracy across various tasks, demonstrating the effectiveness and robustness of GeoTMI.  ( 3 min )

The aim of this paper is to provide a theoretically founded investigation of state-of-the-art learning approaches for inverse problems. We give an extended definition of regularization methods and their convergence in terms of the underlying data distributions, which paves the way for future theoretical studies. Based on a simple spectral learning model previously introduced for supervised learning, we investigate some key properties of different learning paradigms for inverse problems, which can be formulated independently of specific architectures. In particular we investigate the regularization properties, bias, and critical dependence on training data distributions. Moreover, our framework allows to highlight and compare the specific behavior of the different paradigms in the infinite-dimensional limit.  ( 2 min )

With the growing use of machine learning (ML) models in critical domains such as finance and healthcare, the need to offer recourse for those adversely affected by the decisions of ML models has become more important; individuals ought to be provided with recommendations on actions to take for improving their situation and thus receiving a favorable decision. Prior work on sequential algorithmic recourse -- which recommends a series of changes -- focuses on action feasibility and uses the proximity of feature changes to determine action costs. However, the uncertainties of feature changes and the risk of higher than average costs in recourse have not been considered. It is undesirable if a recourse could (with some probability) result in a worse situation from which recovery requires an extremely high cost. It is essential to incorporate risks when computing and evaluating recourse. We call the recourse computed with such risk considerations as Safer Algorithmic Recourse (SafeAR). The objective is to empower people to choose a recourse based on their risk tolerance. In this work, we discuss and show how existing recourse desiderata can fail to capture the risk of higher costs. We present a method to compute recourse policies that consider variability in cost and connect algorithmic recourse literature with risk-sensitive reinforcement learning. We also adopt measures "Value at Risk" and "Conditional Value at Risk" from the financial literature to summarize risk concisely. We apply our method to two real-world datasets and compare policies with different risk-aversion levels using risk measures and recourse desiderata (sparsity and proximity).  ( 3 min )

We describe RA-E3 (Reward-Aware Explicit Explore or Exploit), an algorithm with provable guarantees for solving a single or multi-objective Markov Decision Process (MDP) where we want to maximize the expected value of a nonlinear function over accumulated rewards. This allows us to model fairness-aware welfare optimization for multi-objective reinforcement learning as well as risk-aware reinforcement learning with nonlinear Von Neumann-Morgenstern utility functions in the single objective setting. RA-E3 extends the classic E3 algorithm that solves MDPs with scalar rewards and linear preferences. We first state a distinct reward-aware version of value iteration that calculates a non-stationary policy that is approximately optimal for a given model of the environment. This sub-procedure is based on an extended form of Bellman optimality for nonlinear optimization that explicitly considers time and current accumulated reward. We then describe how to use this optimization procedure in a larger algorithm that must simultaneously learn a model of the environment. The algorithm learns an approximately optimal policy in time that depends polynomially on the MDP size, desired approximation, and smoothness of the nonlinear function, and exponentially on the number of objectives.  ( 2 min )

The number and complexity of artificial intelligence (AI) applications is growing relentlessly. As a result, even with the many algorithmic and mathematical advances experienced over past decades as well as the impressive energy efficiency and computational capacity of current hardware accelerators, training the most powerful and popular deep neural networks comes at very high economic and environmental costs. Recognising that additional optimisations of conventional neural network training is very difficult, this work takes a radically different approach by proposing GreenLightningAI, a new AI system design consisting of a linear model that is capable of emulating the behaviour of deep neural networks by subsetting the model for each particular sample. The new AI system stores the information required to select the system subset for a given sample (referred to as structural information) separately from the linear model parameters (referred to as quantitative knowledge). In this paper we present a proof of concept, showing that the structural information stabilises far earlier than the quantitative knowledge. Additionally, we show experimentally that the structural information can be kept unmodified when re-training the AI system with new samples while still achieving a validation accuracy similar to that obtained when re-training a neural network with similar size. Since the proposed AI system is based on a linear model, multiple copies of the model, trained with different datasets, can be easily combined. This enables faster and greener (re)-training algorithms, including incremental re-training and federated incremental re-training.  ( 3 min )

In this work we introduce $\nu^2$-Flows, an extension of the $\nu$-Flows method to final states containing multiple neutrinos. The architecture can natively scale for all combinations of object types and multiplicities in the final state for any desired neutrino multiplicities. In $t\bar{t}$ dilepton events, the momenta of both neutrinos and correlations between them are reconstructed more accurately than when using the most popular standard analytical techniques, and solutions are found for all events. Inference time is significantly faster than competing methods, and can be reduced further by evaluating in parallel on graphics processing units. We apply $\nu^2$-Flows to $t\bar{t}$ dilepton events and show that the per-bin uncertainties in unfolded distributions is much closer to the limit of performance set by perfect neutrino reconstruction than standard techniques. For the chosen double differential observables $\nu^2$-Flows results in improved statistical precision for each bin by a factor of 1.5 to 2 in comparison to the Neutrino Weighting method and up to a factor of four in comparison to the Ellipse approach.  ( 3 min )

The community explored to build private inference frameworks for transformer-based large language models (LLMs) in a server-client setting, where the server holds the model parameters and the client inputs its private data (or prompt) for inference. However, these frameworks impose significant overhead when the private inputs are forward propagated through the original LLMs. In this paper, we show that substituting the computation- and communication-heavy operators in the transformer architecture with privacy-computing friendly approximations can greatly reduce the private inference costs while incurring very minor impact on model performance. Compared to state-of-the-art Iron (NeurIPS 2022), our privacy-computing friendly model inference pipeline achieves a $5\times$ acceleration in computation and an 80% reduction in communication overhead, while retaining nearly identical accuracy.  ( 2 min )

In the field of clinical medicine, computed tomography (CT) is an effective medical imaging modality for the diagnosis of various pathologies. Compared with X-ray images, CT images can provide more information, including multi-planar slices and three-dimensional structures for clinical diagnosis. However, CT imaging requires patients to be exposed to large doses of ionizing radiation for a long time, which may cause irreversible physical harm. In this paper, we propose an Uncertainty-aware MedNeRF (UMedNeRF) network based on generated radiation fields. The network can learn a continuous representation of CT projections from 2D X-ray images by obtaining the internal structure and depth information and using adaptive loss weights to ensure the quality of the generated images. Our model is trained on publicly available knee and chest datasets, and we show the results of CT projection rendering with a single X-ray and compare our method with other methods based on generated radiation fields.  ( 2 min )

Self-supervised learning addresses the challenge encountered by many supervised methods, i.e. the requirement of large amounts of annotated data. This challenge is particularly pronounced in fields such as the electroencephalography (EEG) research domain. Self-supervised learning operates instead by utilizing pseudo-labels, which are generated by pretext tasks, to obtain a rich and meaningful data representation. In this study, we aim at introducing a dual-stream pretext task architecture that operates both in the time and frequency domains. In particular, we have examined the incorporation of the novel Frequency Similarity (FS) pretext task into two existing pretext tasks, Relative Positioning (RP) and Temporal Shuffling (TS). We assess the accuracy of these models using the Physionet Challenge 2018 (PC18) dataset in the context of the downstream task sleep stage classification. The inclusion of FS resulted in a notable improvement in downstream task accuracy, with a 1.28 percent improvement on RP and a 2.02 percent improvement on TS. Furthermore, when visualizing the learned embeddings using Uniform Manifold Approximation and Projection (UMAP), distinct clusters emerge, indicating that the learned representations carry meaningful information.  ( 2 min )

Among the great successes of Reinforcement Learning (RL), self-play algorithms play an essential role in solving competitive games. Current self-play algorithms optimize the agent to maximize expected win-rates against its current or historical copies, making it often stuck in the local optimum and its strategy style simple and homogeneous. A possible solution is to improve the diversity of policies, which helps the agent break the stalemate and enhances its robustness when facing different opponents. However, enhancing diversity in the self-play algorithms is not trivial. In this paper, we aim to introduce diversity from the perspective that agents could have diverse risk preferences in the face of uncertainty. Specifically, we design a novel reinforcement learning algorithm called Risk-sensitive Proximal Policy Optimization (RPPO), which smoothly interpolates between worst-case and best-case policy learning and allows for policy learning with desired risk preferences. Seamlessly integrating RPPO with population-based self-play, agents in the population optimize dynamic risk-sensitive objectives with experiences from playing against diverse opponents. Empirical results show that our method achieves comparable or superior performance in competitive games and that diverse modes of behaviors emerge. Our code is public online at \url{https://github.com/Jackory/RPBT}.  ( 2 min )

With the success of self-supervised representations, researchers seek a better understanding of the information encapsulated within a representation. Among various interpretability methods, we focus on classification-based linear probing. We aim to foster a solid understanding and provide guidelines for linear probing by constructing a novel mathematical framework leveraging information theory. First, we connect probing with the variational bounds of mutual information (MI) to relax the probe design, equating linear probing with fine-tuning. Then, we investigate empirical behaviors and practices of probing through our mathematical framework. We analyze the layer-wise performance curve being convex, which seemingly violates the data processing inequality. However, we show that the intermediate representations can have the biggest MI estimate because of the tradeoff between better separability and decreasing MI. We further suggest that the margin of linearly separable representations can be a criterion for measuring the "goodness of representation." We also compare accuracy with MI as the measuring criteria. Finally, we empirically validate our claims by observing the self-supervised speech models on retaining word and phoneme information.  ( 2 min )

The debiased estimator is a crucial tool in statistical inference for high-dimensional model parameters. However, constructing such an estimator involves estimating the high-dimensional inverse Hessian matrix, incurring significant computational costs. This challenge becomes particularly acute in distributed setups, where traditional methods necessitate computing a debiased estimator on every machine. This becomes unwieldy, especially with a large number of machines. In this paper, we delve into semi-supervised sparse statistical inference in a distributed setup. An efficient multi-round distributed debiased estimator, which integrates both labeled and unlabelled data, is developed. We will show that the additional unlabeled data helps to improve the statistical rate of each round of iteration. Our approach offers tailored debiasing methods for $M$-estimation and generalized linear models according to the specific form of the loss function. Our method also applies to a non-smooth loss like absolute deviation loss. Furthermore, our algorithm is computationally efficient since it requires only one estimation of a high-dimensional inverse covariance matrix. We demonstrate the effectiveness of our method by presenting simulation studies and real data applications that highlight the benefits of incorporating unlabeled data.  ( 2 min )

In this paper, we consider a wireless federated inference scenario in which devices and a server share a pre-trained machine learning model. The devices communicate statistical information about their local data to the server over a common wireless channel, aiming to enhance the quality of the inference decision at the server. Recent work has introduced federated conformal prediction (CP), which leverages devices-to-server communication to improve the reliability of the server's decision. With federated CP, devices communicate to the server information about the loss accrued by the shared pre-trained model on the local data, and the server leverages this information to calibrate a decision interval, or set, so that it is guaranteed to contain the correct answer with a pre-defined target reliability level. Previous work assumed noise-free communication, whereby devices can communicate a single real number to the server. In this paper, we study for the first time federated CP in a wireless setting. We introduce a novel protocol, termed wireless federated conformal prediction (WFCP), which builds on type-based multiple access (TBMA) and on a novel quantile correction strategy. WFCP is proved to provide formal reliability guarantees in terms of coverage of the predicted set produced by the server. Using numerical results, we demonstrate the significant advantages of WFCP against digital implementations of existing federated CP schemes, especially in regimes with limited communication resources and/or large number of devices.  ( 3 min )

The process of training a deep neural network is characterized by significant time requirements and associated costs. Although researchers have made considerable progress in this area, further work is still required due to resource constraints. This study examines innovative approaches to expedite the training process of deep neural networks (DNN), with specific emphasis on three state-of-the-art models such as ResNet50, Vision Transformer (ViT), and EfficientNet. The research utilizes sophisticated methodologies, including Gradient Accumulation (GA), Automatic Mixed Precision (AMP), and Pin Memory (PM), in order to optimize performance and accelerate the training procedure. The study examines the effects of these methodologies on the DNN models discussed earlier, assessing their efficacy with regard to training rate and computational efficacy. The study showcases the efficacy of including GA as a strategic approach, resulting in a noteworthy decrease in the duration required for training. This enables the models to converge at a faster pace. The utilization of AMP enhances the speed of computations by taking advantage of the advantages offered by lower precision arithmetic while maintaining the correctness of the model. Furthermore, this study investigates the application of Pin Memory as a strategy to enhance the efficiency of data transmission between the central processing unit and the graphics processing unit, thereby offering a promising opportunity for enhancing overall performance. The experimental findings demonstrate that the combination of these sophisticated methodologies significantly accelerates the training of DNNs, offering vital insights for experts seeking to improve the effectiveness of deep learning processes.  ( 3 min )

Methods inspired by Artificial Intelligence (AI) are starting to fundamentally change computational science and engineering through breakthrough performances on challenging problems. However, reliability and trustworthiness of such techniques is becoming a major concern. In inverse problems in imaging, the focus of this paper, there is increasing empirical evidence that methods may suffer from hallucinations, i.e., false, but realistic-looking artifacts; instability, i.e., sensitivity to perturbations in the data; and unpredictable generalization, i.e., excellent performance on some images, but significant deterioration on others. This paper presents a theoretical foundation for these phenomena. We give a mathematical framework describing how and when such effects arise in arbitrary reconstruction methods, not just AI-inspired techniques. Several of our results take the form of `no free lunch' theorems. Specifically, we show that (i) methods that overperform on a single image can wrongly transfer details from one image to another, creating a hallucination, (ii) methods that overperform on two or more images can hallucinate or be unstable, (iii) optimizing the accuracy-stability trade-off is generally difficult, (iv) hallucinations and instabilities, if they occur, are not rare events, and may be encouraged by standard training, (v) it may be impossible to construct optimal reconstruction maps for certain problems. Our results trace these effects to the kernel of the forward operator whenever it is nontrivial, but also extend to the case when the forward operator is ill-conditioned. Based on these insights, our work aims to spur research into new ways to develop robust and reliable AI-inspired methods for inverse problems in imaging.  ( 3 min )

Krylov subspace, which is generated by multiplying a given vector by the matrix of a linear transformation and its successive powers, has been extensively studied in classical optimization literature to design algorithms that converge quickly for large linear inverse problems. For example, the conjugate gradient method (CG), one of the most popular Krylov subspace methods, is based on the idea of minimizing the residual error in the Krylov subspace. However, with the recent advancement of high-performance diffusion solvers for inverse problems, it is not clear how classical wisdom can be synergistically combined with modern diffusion models. In this study, we propose a novel and efficient diffusion sampling strategy that synergistically combine the diffusion sampling and Krylov subspace methods. Specifically, we prove that if the tangent space at a denoised sample by Tweedie's formula forms a Krylov subspace, then the CG initialized with the denoised data ensures the data consistency update to remain in the tangent space. This negates the need to compute the manifold-constrained gradient (MCG), leading to a more efficient diffusion sampling method. Our method is applicable regardless of the parametrization and setting (i.e., VE, VP). Notably, we achieve state-of-the-art reconstruction quality on challenging real-world medical inverse imaging problems, including multi-coil MRI reconstruction and 3D CT reconstruction. Moreover, our proposed method achieves more than 80 times faster inference time than the previous state-of-the-art method.  ( 3 min )

Many physics and engineering applications demand Partial Differential Equations (PDE) property evaluations that are traditionally computed with resource-intensive high-fidelity numerical solvers. Data-driven surrogate models provide an efficient alternative but come with a significant cost of training. Emerging applications would benefit from surrogates with an improved accuracy-cost tradeoff, while studied at scale. Here we present a "physics-enhanced deep-surrogate" ("PEDS") approach towards developing fast surrogate models for complex physical systems, which is described by PDEs. Specifically, a combination of a low-fidelity, explainable physics simulator and a neural network generator is proposed, which is trained end-to-end to globally match the output of an expensive high-fidelity numerical solver. Experiments on three exemplar testcases, diffusion, reaction-diffusion, and electromagnetic scattering models, show that a PEDS surrogate can be up to 3$\times$ more accurate than an ensemble of feedforward neural networks with limited data ($\approx 10^3$ training points), and reduces the training data need by at least a factor of 100 to achieve a target error of 5%. Experiments reveal that PEDS provides a general, data-driven strategy to bridge the gap between a vast array of simplified physical models with corresponding brute-force numerical solvers modeling complex systems, offering accuracy, speed, data efficiency, as well as physical insights into the process.  ( 3 min )

In federated learning, benign participants aim to optimize a global model collaboratively. However, the risk of \textit{privacy leakage} cannot be ignored in the presence of \textit{semi-honest} adversaries. Existing research has focused either on designing protection mechanisms or on inventing attacking mechanisms. While the battle between defenders and attackers seems never-ending, we are concerned with one critical question: is it possible to prevent potential attacks in advance? To address this, we propose the first game-theoretic framework that considers both FL defenders and attackers in terms of their respective payoffs, which include computational costs, FL model utilities, and privacy leakage risks. We name this game the federated learning privacy game (FLPG), in which neither defenders nor attackers are aware of all participants' payoffs. To handle the \textit{incomplete information} inherent in this situation, we propose associating the FLPG with an \textit{oracle} that has two primary responsibilities. First, the oracle provides lower and upper bounds of the payoffs for the players. Second, the oracle acts as a correlation device, privately providing suggested actions to each player. With this novel framework, we analyze the optimal strategies of defenders and attackers. Furthermore, we derive and demonstrate conditions under which the attacker, as a rational decision-maker, should always follow the oracle's suggestion \textit{not to attack}.  ( 3 min )

Skillful subseasonal forecasts beyond 2 weeks are crucial for a wide range of applications across various sectors of society. Recently, state-of-the-art machine learning based weather forecasting models have made significant advancements, outperforming the high-resolution forecast (HRES) from the European Centre for Medium-Range Weather Forecasts (ECMWF). However, the full potential of machine learning models in subseasonal forecasts has yet to be fully explored. In this study, we introduce FuXi Subseasonal-to-Seasonal (FuXi-S2S), a machine learning based subseasonal forecasting model that provides global daily mean forecasts up to 42 days, covering 5 upper-air atmospheric variables at 13 pressure levels and 11 surface variables. FuXi-S2S integrates an enhanced FuXi base model with a perturbation module for flow-dependent perturbations in hidden features, and incorporates Perlin noise to perturb initial conditions. The model is developed using 72 years of daily statistics from ECMWF ERA5 reanalysis data. When compared to the ECMWF Subseasonal-to-Seasonal (S2S) reforecasts, the FuXi-S2S forecasts demonstrate superior deterministic and ensemble forecasts for total precipitation (TP), outgoing longwave radiation (OLR), and geopotential at 500 hPa (Z500). Although it shows slightly inferior performance in predicting 2-meter temperature (T2M), it has clear advantages over land area. Regarding the extreme forecasts, FuXi-S2S outperforms ECMWF S2S globally for TP. Furthermore, FuXi-S2S forecasts surpass the ECMWF S2S reforecasts in predicting the Madden Julian Oscillation (MJO), a key source of subseasonal predictability. They extend the skillful prediction of MJO from 30 days to 36 days.  ( 3 min )

Generalized Category Discovery (GCD) aims to discover novel categories in unlabelled datasets using knowledge learned from labelled samples. Previous studies argued that parametric classifiers are prone to overfitting to seen categories, and endorsed using a non-parametric classifier formed with semi-supervised k-means. However, in this study, we investigate the failure of parametric classifiers, verify the effectiveness of previous design choices when high-quality supervision is available, and identify unreliable pseudo-labels as a key problem. We demonstrate that two prediction biases exist: the classifier tends to predict seen classes more often, and produces an imbalanced distribution across seen and novel categories. Based on these findings, we propose a simple yet effective parametric classification method that benefits from entropy regularisation, achieves state-of-the-art performance on multiple GCD benchmarks and shows strong robustness to unknown class numbers. We hope the investigation and proposed simple framework can serve as a strong baseline to facilitate future studies in this field. Our code is available at: https://github.com/CVMI-Lab/SimGCD.  ( 2 min )

Biomedical entity linking (BioEL) has achieved remarkable progress with the help of pre-trained language models. However, existing BioEL methods usually struggle to handle rare and difficult entities due to long-tailed distribution. To address this limitation, we introduce a new scheme $k$NN-BioEL, which provides a BioEL model with the ability to reference similar instances from the entire training corpus as clues for prediction, thus improving the generalization capabilities. Moreover, we design a contrastive learning objective with dynamic hard negative sampling (DHNS) that improves the quality of the retrieved neighbors during inference. Extensive experimental results show that $k$NN-BioEL outperforms state-of-the-art baselines on several datasets.  ( 2 min )

Machine learning has had an enormous impact in many scientific disciplines. Also in the field of low-temperature plasma modeling and simulation it has attracted significant interest within the past years. Whereas its application should be carefully assessed in general, many aspects of plasma modeling and simulation have benefited substantially from recent developments within the field of machine learning and data-driven modeling. In this survey, we approach two main objectives: (a) We review the state-of-the-art focusing on approaches to low-temperature plasma modeling and simulation. By dividing our survey into plasma physics, plasma chemistry, plasma-surface interactions, and plasma process control, we aim to extensively discuss relevant examples from literature. (b) We provide a perspective of potential advances to plasma science and technology. We specifically elaborate on advances possibly enabled by adaptation from other scientific disciplines. We argue that not only the known unknowns, but also unknown unknowns may be discovered due to the inherent propensity of data-driven methods to spotlight hidden patterns in data.  ( 2 min )

We present a deep Graph Convolutional Kernel Machine (GCKM) for semi-supervised node classification in graphs. The method is built of two main types of blocks: (i) We introduce unsupervised kernel machine layers propagating the node features in a one-hop neighborhood, using implicit node feature mappings. (ii) We specify a semi-supervised classification kernel machine through the lens of the Fenchel-Young inequality. We derive an effective initialization scheme and efficient end-to-end training algorithm in the dual variables for the full architecture. The main idea underlying GCKM is that, because of the unsupervised core, the final model can achieve higher performance in semi-supervised node classification when few labels are available for training. Experimental results demonstrate the effectiveness of the proposed framework.  ( 2 min )

This work presents a machine learning approach to optimize the energy efficiency (EE) in a multi-cell wireless network. This optimization problem is non-convex and its global optimum is difficult to find. In the literature, either simple but suboptimal approaches or optimal methods with high complexity and poor scalability are proposed. In contrast, we propose a machine learning framework to approach the global optimum. While the neural network (NN) training takes moderate time, application with the trained model requires very low computational complexity. In particular, we introduce a novel objective function based on stochastic actions to solve the non-convex optimization problem. Besides, we design a dedicated NN architecture for the multi-cell network optimization problems that is permutation-equivariant. It classifies channels according to their roles in the EE computation. In this way, we encode our domain knowledge into the NN design and shed light into the black box of machine learning. Training and testing results show that the proposed method without supervision and with reasonable computational effort achieves an EE close to the global optimum found by the branch-and-bound algorithm. Hence, the proposed approach balances between computational complexity and performance.  ( 2 min )

Many applications, such as optimization, uncertainty quantification and inverse problems, require repeatedly performing simulations of large-dimensional physical systems for different choices of parameters. This can be prohibitively expensive. In order to save computational cost, one can construct surrogate models by expressing the system in a low-dimensional basis, obtained from training data. This is referred to as model reduction. Past investigations have shown that, when performing model reduction of Hamiltonian systems, it is crucial to preserve the symplectic structure associated with the system in order to ensure long-term numerical stability. Up to this point structure-preserving reductions have largely been limited to linear transformations. We propose a new neural network architecture in the spirit of autoencoders, which are established tools for dimension reduction and feature extraction in data science, to obtain more general mappings. In order to train the network, a non-standard gradient descent approach is applied that leverages the differential-geometric structure emerging from the network design. The new architecture is shown to significantly outperform existing designs in accuracy.  ( 2 min )

The generalization of neural networks is a central challenge in machine learning, especially concerning the performance under distributions that differ from training ones. Current methods, mainly based on the data-driven paradigm such as data augmentation, adversarial training, and noise injection, may encounter limited generalization due to model non-smoothness. In this paper, we propose to investigate generalization from a Partial Differential Equation (PDE) perspective, aiming to enhance it directly through the underlying function of neural networks, rather than focusing on adjusting input data. Specifically, we first establish the connection between neural network generalization and the smoothness of the solution to a specific PDE, namely "transport equation". Building upon this, we propose a general framework that introduces adaptive distributional diffusion into transport equation to enhance the smoothness of its solution, thereby improving generalization. In the context of neural networks, we put this theoretical framework into practice as $\textbf{PDE+}$ ($\textbf{PDE}$ with $\textbf{A}$daptive $\textbf{D}$istributional $\textbf{D}$iffusion) which diffuses each sample into a distribution covering semantically similar inputs. This enables better coverage of potentially unobserved distributions in training, thus improving generalization beyond merely data-driven methods. The effectiveness of PDE+ is validated through extensive experimental settings, demonstrating its superior performance compared to SOTA methods.  ( 3 min )

Many existing covariate shift adaptation methods estimate sample weights to be used in the risk estimation in order to mitigate the gap between the source and the target distribution. However, non-parametrically estimating the optimal weights typically involves computationally expensive hyper-parameter tuning that is crucial to the final performance. In this paper, we propose a new non-parametric approach to covariate shift adaptation which avoids estimating weights and has no hyper-parameter to be tuned. Our basic idea is to label unlabeled target data according to the $k$-nearest neighbors in the source dataset. Our analysis indicates that setting $k = 1$ is an optimal choice. Thanks to this property, there is no need to tune any hyper-parameters, unlike other non-parametric methods. Moreover, our method achieves a running time quasi-linear in the sample size with a theoretical guarantee, for the first time in the literature to the best of our knowledge. Our results include sharp rates of convergence for estimating the joint probability distribution of the target data. In particular, the variance of our estimators has the same rate of convergence as for standard parametric estimation despite their non-parametric nature. Our numerical experiments show that proposed method brings drastic reduction in the running time with accuracy comparable to that of the state-of-the-art methods.  ( 2 min )

Multi-task learning (MTL) creates a single machine learning model called multi-task model to simultaneously perform multiple tasks. Although the security of single task classifiers has been extensively studied, there are several critical security research questions for multi-task models including 1) How secure are multi-task models to single task adversarial machine learning attacks, 2) Can adversarial attacks be designed to attack multiple tasks simultaneously, and 3) Does task sharing and adversarial training increase multi-task model robustness to adversarial attacks? In this paper, we answer these questions through careful analysis and rigorous experimentation. First, we develop na\"ive adaptation of single-task white-box attacks and analyze their inherent drawbacks. We then propose a novel attack framework, Dynamic Gradient Balancing Attack (DGBA). Our framework poses the problem of attacking a multi-task model as an optimization problem based on averaged relative loss change, which can be solved by approximating the problem as an integer linear programming problem. Extensive evaluation on two popular MTL benchmarks, NYUv2 and Tiny-Taxonomy, demonstrates the effectiveness of DGBA compared to na\"ive multi-task attack baselines on both clean and adversarially trained multi-task models. The results also reveal a fundamental trade-off between improving task accuracy by sharing parameters across tasks and undermining model robustness due to increased attack transferability from parameter sharing. DGBA is open-sourced and available at https://github.com/zhanglijun95/MTLAttack-DGBA.  ( 3 min )

Linear mode-connectivity (LMC) (or lack thereof) is one of the intriguing characteristics of neural network loss landscapes. While empirically well established, it unfortunately still lacks a proper theoretical understanding. Even worse, although empirical data points are abound, a systematic study of when networks exhibit LMC is largely missing in the literature. In this work we aim to close this gap. We explore how LMC is affected by three factors: (1) architecture (sparsity, weight-sharing), (2) training strategy (optimization setup) as well as (3) the underlying dataset. We place particular emphasis on minimal but non-trivial settings, removing as much unnecessary complexity as possible. We believe that our insights can guide future theoretical works on uncovering the inner workings of LMC.  ( 2 min )

Inverse reinforcement learning (IRL) is computationally challenging, with common approaches requiring the solution of multiple reinforcement learning (RL) sub-problems. This work motivates the use of potential-based reward shaping to reduce the computational burden of each RL sub-problem. This work serves as a proof-of-concept and we hope will inspire future developments towards computationally efficient IRL.  ( 2 min )

We show that existing unsupervised methods on large language model (LLM) activations do not discover knowledge -- instead they seem to discover whatever feature of the activations is most prominent. The idea behind unsupervised knowledge elicitation is that knowledge satisfies a consistency structure, which can be used to discover knowledge. We first prove theoretically that arbitrary features (not just knowledge) satisfy the consistency structure of a particular leading unsupervised knowledge-elicitation method, contrast-consistent search (Burns et al. - arXiv:2212.03827). We then present a series of experiments showing settings in which unsupervised methods result in classifiers that do not predict knowledge, but instead predict a different prominent feature. We conclude that existing unsupervised methods for discovering latent knowledge are insufficient, and we contribute sanity checks to apply to evaluating future knowledge elicitation methods. Conceptually, we hypothesise that the identification issues explored here, e.g. distinguishing a model's knowledge from that of a simulated character's, will persist for future unsupervised methods.  ( 2 min )

This paper studies the problem of forecasting general stochastic processes using a path-dependent extension of the Neural Jump ODE (NJ-ODE) framework \citep{herrera2021neural}. While NJ-ODE was the first framework to establish convergence guarantees for the prediction of irregularly observed time series, these results were limited to data stemming from It\^o-diffusions with complete observations, in particular Markov processes, where all coordinates are observed simultaneously. In this work, we generalise these results to generic, possibly non-Markovian or discontinuous, stochastic processes with incomplete observations, by utilising the reconstruction properties of the signature transform. These theoretical results are supported by empirical studies, where it is shown that the path-dependent NJ-ODE outperforms the original NJ-ODE framework in the case of non-Markovian data. Moreover, we show that PD-NJ-ODE can be applied successfully to classical stochastic filtering problems and to limit order book (LOB) data.  ( 2 min )

In this pioneering research paper, we present a groundbreaking exploration into the synergistic fusion of classical and quantum computing paradigms within the realm of Generative Adversarial Networks (GANs). Our objective is to seamlessly integrate quantum computational elements into the conventional GAN architecture, thereby unlocking novel pathways for enhanced training processes. Drawing inspiration from the inherent capabilities of quantum bits (qubits), we delve into the incorporation of quantum data representation methodologies within the GAN framework. By capitalizing on the unique quantum features, we aim to accelerate the training process of GANs, offering a fresh perspective on the optimization of generative models. Our investigation deals with theoretical considerations and evaluates the potential quantum advantages that may manifest in terms of training efficiency and generative quality. We confront the challenges inherent in the quantum-classical amalgamation, addressing issues related to quantum hardware constraints, error correction mechanisms, and scalability considerations. This research is positioned at the forefront of quantum-enhanced machine learning, presenting a critical stride towards harnessing the computational power of quantum systems to expedite the training of Generative Adversarial Networks. Through our comprehensive examination of the interface between classical and quantum realms, we aim to uncover transformative insights that will propel the field forward, fostering innovation and advancing the frontier of quantum machine learning.  ( 2 min )

Continuous machine learning pipelines are common in industrial settings where models are periodically trained on data streams. Unfortunately, concept drifts may occur in data streams where the joint distribution of the data X and label y, P(X, y), changes over time and possibly degrade model accuracy. Existing concept drift adaptation approaches mostly focus on updating the model to the new data possibly using ensemble techniques of previous models and tend to discard the drifted historical data. However, we contend that explicitly utilizing the drifted data together leads to much better model accuracy and propose Quilt, a data-centric framework for identifying and selecting data segments that maximize model accuracy. To address the potential downside of efficiency, Quilt extends existing data subset selection techniques, which can be used to reduce the training data without compromising model accuracy. These techniques cannot be used as is because they only assume virtual drifts where the posterior probabilities P(y|X) are assumed not to change. In contrast, a key challenge in our setup is to also discard undesirable data segments with concept drifts. Quilt thus discards drifted data segments and selects data segment subsets holistically for accurate and efficient model training. The two operations use gradient-based scores, which have little computation overhead. In our experiments, we show that Quilt outperforms state-of-the-art drift adaptation and data selection baselines on synthetic and real datasets.  ( 3 min )

Latent variable models (LVMs) represent observed variables by parameterized functions of latent variables. Prominent examples of LVMs for unsupervised learning are probabilistic PCA or probabilistic SC which both assume a weighted linear summation of the latents to determine the mean of a Gaussian distribution for the observables. In many cases, however, observables do not follow a Gaussian distribution. For unsupervised learning, LVMs which assume specific non-Gaussian observables have therefore been considered. Already for specific choices of distributions, parameter optimization is challenging and only a few previous contributions considered LVMs with more generally defined observable distributions. Here, we consider LVMs that are defined for a range of different distributions, i.e., observables can follow any (regular) distribution of the exponential family. The novel class of LVMs presented is defined for binary latents, and it uses maximization in place of summation to link the latents to observables. To derive an optimization procedure, we follow an EM approach for maximum likelihood parameter estimation. We show that a set of very concise parameter update equations can be derived which feature the same functional form for all exponential family distributions. The derived generic optimization can consequently be applied to different types of metric data as well as to different types of discrete data. Also, the derived optimization equations can be combined with a recently suggested variational acceleration which is likewise generically applicable to the LVMs considered here. So, the combination maintains generic and direct applicability of the derived optimization procedure, but, crucially, enables efficient scalability. We numerically verify our analytical results and discuss some potential applications such as learning of variance structure, noise type estimation and denoising.  ( 3 min )

Uplift modeling is widely used in performance marketing to estimate effects of promotion campaigns (e.g., increase of customer retention rate). Since it is impossible to observe outcomes of a recipient in treatment (e.g., receiving a certain promotion) and control (e.g., without promotion) groups simultaneously (i.e., counter-factual), uplift models are mainly trained on instances of treatment and control groups separately to form two models respectively, and uplifts are predicted by the difference of predictions from these two models (i.e., two-model method). When responses are noisy and the treatment effect is fractional, induced individual uplift predictions will be inaccurate, resulting in targeting undesirable customers. Though it is impossible to obtain the ideal ground-truth individual uplifts, known as Individual Treatment Effects (ITEs), alternatively, an average uplift of a group of users, called Average Treatment Effect (ATE), can be observed from experimental deliveries. Upon this, similar to Multiple Instance Learning (MIL) in which each training sample is a bag of instances, our framework sums up individual user uplift predictions for each bag of users as its bag-wise ATE prediction, and regularizes it to its ATE label, thus learning more accurate individual uplifts. Additionally, to amplify the fractional treatment effect, bags are composed of instances with adjacent individual uplift predictions, instead of random instances. Experiments conducted on two datasets show the effectiveness and universality of the proposed framework.  ( 3 min )

The promise of Mobile Health (mHealth) is the ability to use wearable sensors to monitor participant physiology at high frequencies during daily life to enable temporally-precise health interventions. However, a major challenge is frequent missing data. Despite a rich imputation literature, existing techniques are ineffective for the pulsative signals which comprise many mHealth applications, and a lack of available datasets has stymied progress. We address this gap with PulseImpute, the first large-scale pulsative signal imputation challenge which includes realistic mHealth missingness models, an extensive set of baselines, and clinically-relevant downstream tasks. Our baseline models include a novel transformer-based architecture designed to exploit the structure of pulsative signals. We hope that PulseImpute will enable the ML community to tackle this significant and challenging task.  ( 2 min )

High-quality conversational datasets are essential for developing AI models that can communicate with users. One way to foster deeper interactions between a chatbot and its user is through personas, aspects of the user's character that provide insights into their personality, motivations, and behaviors. Training Natural Language Processing (NLP) models on a diverse and comprehensive persona-based dataset can lead to conversational models that create a deeper connection with the user, and maintain their engagement. In this paper, we leverage the power of Large Language Models (LLMs) to create a large, high-quality conversational dataset from a seed dataset. We propose a Generator-Critic architecture framework to expand the initial dataset, while improving the quality of its conversations. The Generator is an LLM prompted to output conversations. The Critic consists of a mixture of expert LLMs that control the quality of the generated conversations. These experts select the best generated conversations, which we then use to improve the Generator. We release Synthetic-Persona-Chat, consisting of 20k conversations seeded from Persona-Chat. We evaluate the quality of Synthetic-Persona-Chat and our generation framework on different dimensions through extensive experiments, and observe that the losing rate of Synthetic-Persona-Chat against Persona-Chat during Turing test decreases from 17.2% to 8.8% over three iterations.  ( 2 min )

Machine-Learned Likelihoods (MLL) combines machine-learning classification techniques with likelihood-based inference tests to estimate the experimental sensitivity of high-dimensional data sets. We extend the MLL method by including Kernel Density Estimators (KDE) to avoid binning the classifier output to extract the resulting one-dimensional signal and background probability density functions. We first test our method on toy models generated with multivariate Gaussian distributions, where the true probability distribution functions are known. Later, we apply the method to two cases of interest at the LHC: a search for exotic Higgs bosons, and a $Z'$ boson decaying into lepton pairs. In contrast to physical-based quantities, the typical fluctuations of the ML outputs give non-smooth probability distributions for pure-signal and pure-background samples. The non-smoothness is propagated into the density estimation due to the good performance and flexibility of the KDE method. We study its impact on the final significance computation, and we compare the results using the average of several independent ML output realizations, which allows us to obtain smoother distributions. We conclude that the significance estimation turns out to be not sensible to this issue.  ( 3 min )

In this paper, we introduce an efficient sparse Gaussian process (E-SGP) for the surrogate modelling of fluid mechanics. This novel Bayesian machine learning algorithm allows efficient model training using databases of different structures. It is a further development of the approximated sparse GP algorithm, combining the concept of efficient GP (E-GP) and variational energy free sparse Gaussian process (VEF-SGP). The developed E-SGP approach exploits the arbitrariness of inducing points and the monotonically increasing nature of the objective function with respect to the number of inducing points in VEF-SGP. By specifying the inducing points on the orthogonal grid/input subspace and using the Kronecker product, E-SGP significantly improves computational efficiency without imposing any constraints on the covariance matrix or increasing the number of parameters that need to be optimised during training. The E-SGP algorithm developed in this paper outperforms E-GP not only in scalability but also in model quality in terms of mean standardized logarithmic loss (MSLL). The computational complexity of E-GP suffers from the cubic growth regarding the growing structured training database. However, E-SGP maintains computational efficiency whilst the resolution of the model, (i.e., the number of inducing points) remains fixed. The examples show that E-SGP produces more accurate predictions in comparison with E-GP when the model resolutions are similar in both. E-GP benefits from more training data but comes with higher computational demands, while E-SGP achieves a comparable level of accuracy but is more computationally efficient, making E-SGP a potentially preferable choice for fluid mechanic problems. Furthermore, E-SGP can produce more reasonable estimates of model uncertainty, whilst E-GP is more likely to produce over-confident predictions.  ( 3 min )

Can a machine or algorithm discover or learn Kepler's first law from astronomical sightings alone? We emulate Johannes Kepler's discovery of the equation of the orbit of Mars with the Rudolphine tables using AI Feynman, a physics-inspired tool for symbolic regression.  ( 2 min )

Exact Bayesian inference on state-space models~(SSM) is in general untractable, and unfortunately, basic Sequential Monte Carlo~(SMC) methods do not yield correct approximations for complex models. In this paper, we propose a mixed inference algorithm that computes closed-form solutions using belief propagation as much as possible, and falls back to sampling-based SMC methods when exact computations fail. This algorithm thus implements automatic Rao-Blackwellization and is even exact for Gaussian tree models.  ( 2 min )

Policy learning in robot-assisted surgery (RAS) lacks data efficient and versatile methods that exhibit the desired motion quality for delicate surgical interventions. To this end, we introduce Movement Primitive Diffusion (MPD), a novel method for imitation learning (IL) in RAS that focuses on gentle manipulation of deformable objects. The approach combines the versatility of diffusion-based imitation learning (DIL) with the high-quality motion generation capabilities of Probabilistic Dynamic Movement Primitives (ProDMPs). This combination enables MPD to achieve gentle manipulation of deformable objects, while maintaining data efficiency critical for RAS applications where demonstration data is scarce. We evaluate MPD across various simulated tasks and a real world robotic setup on both state and image observations. MPD outperforms state-of-the-art DIL methods in success rate, motion quality, and data efficiency.  ( 2 min )

The key to performance optimization of a program is to decide correctly when a certain transformation should be applied by a compiler. Traditionally, such profitability decisions are made by hand-coded algorithms tuned for a very small number of benchmarks, usually requiring a great deal of effort to be retuned when the benchmark suite changes. This is an ideal opportunity to apply machine-learning models to speed up the tuning process; while this realization has been around since the late 90s, only recent advancements in ML enabled a practical application of ML to compilers as an end-to-end framework. Even so, seamless integration of ML into the compiler would require constant rebuilding of the compiler when models are updated. This paper presents ACPO: \textbf{\underline{A}}I-Enabled \textbf{\underline{C}}ompiler-driven \textbf{\underline{P}}rogram \textbf{\underline{O}}ptimization; a novel framework to provide LLVM with simple and comprehensive tools to benefit from employing ML models for different optimization passes. We first showcase the high-level view, class hierarchy, and functionalities of ACPO and subsequently, demonstrate \taco{a couple of use cases of ACPO by ML-enabling the Loop Unroll and Function Inlining passes and describe how ACPO can be leveraged to optimize other passes. Experimental results reveal that ACPO model for Loop Unroll is able to gain on average 4\% and 3\%, 5.4\%, 0.2\% compared to LLVM's O3 optimization when deployed on Polybench, Coral-2, CoreMark, and Graph-500, respectively. Furthermore, by adding the Inliner model as well, ACPO is able to provide up to 4.5\% and 2.4\% on Polybench and Cbench compared with LLVM's O3 optimization, respectively.  ( 3 min )

Machine learning was applied to create a digital twin of a numerical simulation of a single-scroll jet engine. A similar model based on the insights gained from this numerical study was used to create a digital twin of a JetCat P100-RX jet engine using only experimental data. Engine data was collected from a custom sensor system measuring parameters such as thrust, exhaust gas temperature, shaft speed, weather conditions, etc. Data was gathered while the engine was placed under different test conditions by controlling shaft speed. The machine learning model was generated (trained) using a next-generation reservoir computer, a best-in-class machine learning algorithm for dynamical systems. Once the model was trained, it was used to predict behavior it had never seen with an accuracy of better than 1.8% when compared to the testing data.  ( 2 min )

We study a ubiquitous learning challenge in online principal-agent problems during which the principal learns the agent's private information from the agent's revealed preferences in historical interactions. This paradigm includes important special cases such as pricing and contract design, which have been widely studied in recent literature. However, existing work considers the case where the principal can only choose a single strategy at every round to interact with the agent and then observe the agent's revealed preference through their actions. In this paper, we extend this line of study to allow the principal to offer a menu of strategies to the agent and learn additionally from observing the agent's selection from the menu. We provide a thorough investigation of several online principal-agent problem settings and characterize their sample complexities, accompanied by the corresponding algorithms we have developed. We instantiate this paradigm to several important design problems $-$ including Stackelberg (security) games, contract design, and information design. Finally, we also explore the connection between our findings and existing results about online learning in Stackelberg games, and we offer a solution that can overcome a key hard instance of Peng et al. (2019).  ( 2 min )

We study the problem of designing hard negative sampling distributions for unsupervised contrastive representation learning. We propose and analyze a novel min-max framework that seeks a representation which minimizes the maximum (worst-case) generalized contrastive learning loss over all couplings (joint distributions between positive and negative samples subject to marginal constraints) and prove that the resulting min-max optimum representation will be degenerate. This provides the first theoretical justification for incorporating additional regularization constraints on the couplings. We re-interpret the min-max problem through the lens of Optimal Transport (OT) theory and utilize regularized transport couplings to control the degree of hardness of negative examples. Through experiments we demonstrate that the negative samples generated from our designed negative distribution are more similar to the anchor than those generated from the baseline negative distribution. We also demonstrate that entropic regularization yields negative sampling distributions with parametric form similar to that in a recent state-of-the-art negative sampling design and has similar performance in multiple datasets. Utilizing the uncovered connection with OT, we propose a new ground cost for designing the negative distribution and show improved performance of the learned representation on downstream tasks compared to the representation learned when using squared Euclidean cost.  ( 3 min )

Federated learning shows promise as a privacy-preserving collaborative learning technique. Existing heterogeneous federated learning mainly focuses on skewing the label distribution across clients. However, most approaches suffer from catastrophic forgetting and concept drift, mainly when the global distribution of all classes is extremely unbalanced and the data distribution of the client dynamically evolves over time. In this paper, we study the new task, i.e., Dynamic Heterogeneous Federated Learning (DHFL), which addresses the practical scenario where heterogeneous data distributions exist among different clients and dynamic tasks within the client. Accordingly, we propose a novel federated learning framework named Federated Multi-Level Prototypes (FedMLP) and design federated multi-level regularizations. To mitigate concept drift, we construct prototypes and semantic prototypes to provide fruitful generalization knowledge and ensure the continuity of prototype spaces. To maintain the model stability and consistency of convergence, three regularizations are introduced as training losses, i.e., prototype-based regularization, semantic prototype-based regularization, and federated inter-task regularization. Extensive experiments show that the proposed method achieves state-of-the-art performance in various settings.  ( 2 min )

Venn Prediction (VP) is a new machine learning framework for producing well-calibrated probabilistic predictions. In particular it provides well-calibrated lower and upper bounds for the conditional probability of an example belonging to each possible class of the problem at hand. This paper proposes five VP methods based on Neural Networks (NNs), which is one of the most widely used machine learning techniques. The proposed methods are evaluated experimentally on four benchmark datasets and the obtained results demonstrate the empirical well-calibratedness of their outputs and their superiority over the outputs of the traditional NN classifier.  ( 2 min )

Unsupervised Domain Adaptation (UDA) aims to harness labeled source data to train models for unlabeled target data. Despite extensive research in domains like computer vision and natural language processing, UDA remains underexplored for time series data, which has widespread real-world applications ranging from medicine and manufacturing to earth observation and human activity recognition. Our paper addresses this gap by introducing a comprehensive benchmark for evaluating UDA techniques for time series classification, with a focus on deep learning methods. We provide seven new benchmark datasets covering various domain shifts and temporal dynamics, facilitating fair and standardized UDA method assessments with state of the art neural network backbones (e.g. Inception) for time series data. This benchmark offers insights into the strengths and limitations of the evaluated approaches while preserving the unsupervised nature of domain adaptation, making it directly applicable to practical problems. Our paper serves as a vital resource for researchers and practitioners, advancing domain adaptation solutions for time series data and fostering innovation in this critical field. The implementation code of this benchmark is available at https://github.com/EricssonResearch/UDA-4-TSC.  ( 2 min )

Designing reward functions that guide generative molecular design (GMD) algorithms to desirable areas of chemical space is of critical importance in AI-driven drug discovery. Traditionally, this has been a manual and error-prone task; the selection of appropriate computational methods to approximate biological assays is challenging and the aggregation of computed values into a single score even more so, leading to potential reliance on trial-and-error approaches. We propose a novel approach for automated reward configuration that relies solely on experimental data, mitigating the challenges of manual reward adjustment on drug discovery projects. Our method achieves this by constructing a ranking over experimental data based on Pareto dominance over the multi-objective space, then training a neural network to approximate the reward function such that rankings determined by the predicted reward correlate with those determined by the Pareto dominance relation. We validate our method using two case studies. In the first study we simulate Design-Make-Test-Analyse (DMTA) cycles by alternating reward function updates and generative runs guided by that function. We show that the learned function adapts over time to yield compounds that score highly with respect to evaluation functions taken from the literature. In the second study we apply our algorithm to historical data from four real drug discovery projects. We show that our algorithm yields reward functions that outperform the predictive accuracy of human-defined functions, achieving an improvement of up to 0.4 in Spearman's correlation against a ground truth evaluation function that encodes the target drug profile for that project. Our method provides an efficient data-driven way to configure reward functions for GMD, and serves as a strong baseline for future research into transformative approaches for the automation of drug discovery.  ( 3 min )

Artificial Intelligence (AI) based image analysis has an immense potential to support diagnostic histopathology, including cancer diagnostics. However, developing supervised AI methods requires large-scale annotated datasets. A potentially powerful solution is to augment training data with synthetic data. Latent diffusion models, which can generate high-quality, diverse synthetic images, are promising. However, the most common implementations rely on detailed textual descriptions, which are not generally available in this domain. This work proposes a method that constructs structured textual prompts from automatically extracted image features. We experiment with the PCam dataset, composed of tissue patches only loosely annotated as healthy or cancerous. We show that including image-derived features in the prompt, as opposed to only healthy and cancerous labels, improves the Fr\'echet Inception Distance (FID) from 178.8 to 90.2. We also show that pathologists find it challenging to detect synthetic images, with a median sensitivity/specificity of 0.55/0.55. Finally, we show that synthetic data effectively trains AI models.  ( 3 min )

The identification of the Purkinje conduction system in the heart is a challenging task, yet essential for a correct definition of cardiac digital twins for precision cardiology. Here, we propose a probabilistic approach for identifying the Purkinje network from non-invasive clinical data such as the standard electrocardiogram (ECG). We use cardiac imaging to build an anatomically accurate model of the ventricles; we algorithmically generate a rule-based Purkinje network tailored to the anatomy; we simulate physiological electrocardiograms with a fast model; we identify the geometrical and electrical parameters of the Purkinje-ECG model with Bayesian optimization and approximate Bayesian computation. The proposed approach is inherently probabilistic and generates a population of plausible Purkinje networks, all fitting the ECG within a given tolerance. In this way, we can estimate the uncertainty of the parameters, thus providing reliable predictions. We test our methodology in physiological and pathological scenarios, showing that we are able to accurately recover the ECG with our model. We propagate the uncertainty in the Purkinje network parameters in a simulation of conduction system pacing therapy. Our methodology is a step forward in creation of digital twins from non-invasive data in precision medicine. An open source implementation can be found at this http URL  ( 2 min )

Many real world data, particularly in the natural sciences and computer vision, lie on known Riemannian manifolds such as spheres, tori or the group of rotation matrices. The predominant approaches to learning a distribution on such a manifold require solving a differential equation in order to sample from the model and evaluate densities. The resulting sampling times are slowed down by a high number of function evaluations. In this work, we propose an alternative approach which only requires a single function evaluation followed by a projection to the manifold. Training is achieved by an adaptation of the recently proposed free-form flow framework to Riemannian manifolds. The central idea is to estimate the gradient of the negative log-likelihood via a trace evaluated in the tangent space. We evaluate our method on various manifolds, and find significantly faster inference at competitive performance compared to previous work. We make our code public at https://github.com/vislearn/FFF.  ( 2 min )

Offline reinforcement learning leverages pre-collected datasets of transitions to train policies. It can serve as effective initialization for online algorithms, enhancing sample efficiency and speeding up convergence. However, when such datasets are limited in size and quality, offline pre-training can produce sub-optimal policies and lead to degraded online reinforcement learning performance. In this paper we propose a model-based data augmentation strategy to maximize the benefits of offline reinforcement learning pre-training and reduce the scale of data needed to be effective. Our approach leverages a world model of the environment trained on the offline dataset to augment states during offline pre-training. We evaluate our approach on a variety of MuJoCo robotic tasks and our results show it can jump-start online fine-tuning and substantially reduce - in some cases by an order of magnitude - the required number of environment interactions.  ( 2 min )

The rapid adoption of artificial intelligence (AI) and machine learning (ML) has generated growing interest in understanding their environmental impact and the challenges associated with designing environmentally friendly ML-enabled systems. While Green AI research, i.e., research that tries to minimize the energy footprint of AI, is receiving increasing attention, very few concrete guidelines are available on how ML-enabled systems can be designed to be more environmentally sustainable. In this paper, we provide a catalog of 30 green architectural tactics for ML-enabled systems to fill this gap. An architectural tactic is a high-level design technique to improve software quality, in our case environmental sustainability. We derived the tactics from the analysis of 51 peer-reviewed publications that primarily explore Green AI, and validated them using a focus group approach with three experts. The 30 tactics we identified are aimed to serve as an initial reference guide for further exploration into Green AI from a software engineering perspective, and assist in designing sustainable ML-enabled systems. To enhance transparency and facilitate their widespread use and extension, we make the tactics available online in easily consumable formats. Wide-spread adoption of these tactics has the potential to substantially reduce the societal impact of ML-enabled systems regarding their energy and carbon footprint.  ( 2 min )

This paper launches a thorough discussion on the locality of local neural operator (LNO), which is the core that enables LNO great flexibility on varied computational domains in solving transient partial differential equations (PDEs). We investigate the locality of LNO by looking into its receptive field and receptive range, carrying a main concern about how the locality acts in LNO training and applications. In a large group of LNO training experiments for learning fluid dynamics, it is found that an initial receptive range compatible with the learning task is crucial for LNO to perform well. On the one hand, an over-small receptive range is fatal and usually leads LNO to numerical oscillation; on the other hand, an over-large receptive range hinders LNO from achieving the best accuracy. We deem rules found in this paper general when applying LNO to learn and solve transient PDEs in diverse fields. Practical examples of applying the pre-trained LNOs in flow prediction are presented to confirm the findings further. Overall, with the architecture properly designed with a compatible receptive range, the pre-trained LNO shows commendable accuracy and efficiency in solving practical cases.  ( 2 min )

Segmentation quality assessment (SQA) plays a critical role in the deployment of a medical image based AI system. Users need to be informed/alerted whenever an AI system generates unreliable/incorrect predictions. With the introduction of the Segment Anything Model (SAM), a general foundation segmentation model, new research opportunities emerged in how one can utilize SAM for medical image segmentation. In this paper, we propose a novel SQA method, called SQA-SAM, which exploits SAM to enhance the accuracy of quality assessment for medical image segmentation. When a medical image segmentation model (MedSeg) produces predictions for a test image, we generate visual prompts based on the predictions, and SAM is utilized to generate segmentation maps corresponding to the visual prompts. How well MedSeg's segmentation aligns with SAM's segmentation indicates how well MedSeg's segmentation aligns with the general perception of objectness and image region partition. We develop a score measure for such alignment. In experiments, we find that the generated scores exhibit moderate to strong positive correlation (in Pearson correlation and Spearman correlation) with Dice coefficient scores reflecting the true segmentation quality.  ( 2 min )

Multivariate time series data are ubiquitous in the application of machine learning to problems in the physical sciences. Chemiresistive sensor arrays are highly promising in chemical detection tasks relevant to industrial, safety, and military applications. Sensor arrays are an inherently multivariate time series data collection tool which demand rapid and accurate classification of arbitrary chemical analytes. Previous research has benchmarked data-agnostic multivariate time series classifiers across diverse multivariate time series supervised tasks in order to find general-purpose classification algorithms. To our knowledge, there has yet to be an effort to survey machine learning and time series classification approaches to chemiresistive hardware sensor arrays for the detection of chemical analytes. In addition to benchmarking existing approaches to multivariate time series classifiers, we incorporate findings from a model survey to propose the novel \textit{ChemTime} approach to sensor array classification for chemical sensing. We design experiments addressing the unique challenges of hardware sensor arrays classification including the rapid classification ability of classifiers and minimization of inference time while maintaining performance for deployed lightweight hardware sensing devices. We find that \textit{ChemTime} is uniquely positioned for the chemical sensing task by combining rapid and early classification of time series with beneficial inference and high accuracy.  ( 3 min )

Robot calligraphy is an emerging exploration of artificial intelligence in the fields of art and education. Traditional calligraphy generation researches mainly focus on methods such as tool-based image processing, generative models, and style transfer. Unlike the English alphabet, the number of Chinese characters is tens of thousands, which leads to difficulties in the generation of a style consistent Chinese calligraphic font with over 6000 characters. Due to the lack of high-quality data sets, formal definitions of calligraphy knowledge, and scientific art evaluation methods, The results generated are frequently of low quality and falls short of professional-level requirements. To address the above problem, this paper proposes an automatic calligraphy generation model based on deep generative adversarial networks (deepGAN) that can generate style calligraphy fonts with professional standards. The key highlights of the proposed method include: (1) The datasets use a high-precision calligraphy synthesis method to ensure its high quality and sufficient quantity; (2) Professional calligraphers are invited to conduct a series of Turing tests to evaluate the gap between model generation results and human artistic level; (3) Experimental results indicate that the proposed model is the state-of-the-art among current calligraphy generation methods. The Turing tests and similarity evaluations validate the effectiveness of the proposed method.  ( 2 min )

Large-scale language-image pre-trained models (e.g., CLIP) have shown superior performances on many cross-modal retrieval tasks. However, the problem of transferring the knowledge learned from such models to video-based person re-identification (ReID) has barely been explored. In addition, there is a lack of decent text descriptions in current ReID benchmarks. To address these issues, in this work, we propose a novel one-stage text-free CLIP-based learning framework named TF-CLIP for video-based person ReID. More specifically, we extract the identity-specific sequence feature as the CLIP-Memory to replace the text feature. Meanwhile, we design a Sequence-Specific Prompt (SSP) module to update the CLIP-Memory online. To capture temporal information, we further propose a Temporal Memory Diffusion (TMD) module, which consists of two key components: Temporal Memory Construction (TMC) and Memory Diffusion (MD). Technically, TMC allows the frame-level memories in a sequence to communicate with each other, and to extract temporal information based on the relations within the sequence. MD further diffuses the temporal memories to each token in the original features to obtain more robust sequence features. Extensive experiments demonstrate that our proposed method shows much better results than other state-of-the-art methods on MARS, LS-VID and iLIDS-VID. The code is available at https://github.com/AsuradaYuci/TF-CLIP.  ( 3 min )

Graph Neural Networks (GNNs) demonstrate their significance by effectively modeling complex interrelationships within graph-structured data. To enhance the credibility and robustness of GNNs, it becomes exceptionally crucial to bolster their ability to capture causal relationships. However, despite recent advancements that have indeed strengthened GNNs from a causal learning perspective, conducting an in-depth analysis specifically targeting the causal modeling prowess of GNNs remains an unresolved issue. In order to comprehensively analyze various GNN models from a causal learning perspective, we constructed an artificially synthesized dataset with known and controllable causal relationships between data and labels. The rationality of the generated data is further ensured through theoretical foundations. Drawing insights from analyses conducted using our dataset, we introduce a lightweight and highly adaptable GNN module designed to strengthen GNNs' causal learning capabilities across a diverse range of tasks. Through a series of experiments conducted on both synthetic datasets and other real-world datasets, we empirically validate the effectiveness of the proposed module.  ( 2 min )

Process mining, a data-driven approach for analyzing, visualizing, and improving business processes using event logs, has emerged as a powerful technique in the field of business process management. Process forecasting is a sub-field of process mining that studies how to predict future processes and process models. In this paper, we introduce and motivate the problem of event log prediction and present our approach to solving the event log prediction problem, in particular, using the sequence-to-sequence deep learning approach. We evaluate and analyze the prediction outcomes on a variety of synthetic logs and seven real-life logs and show that our approach can generate perfect predictions on synthetic logs and that deep learning techniques have the potential to be applied in real-world event log prediction tasks. We further provide practical recommendations for event log predictions grounded in the outcomes of the conducted experiments.  ( 2 min )

Recently, learning urban region representations utilizing multi-modal data (information views) has become increasingly popular, for deep understanding of the distributions of various socioeconomic features in cities. However, previous methods usually blend multi-view information in a posteriors stage, falling short in learning coherent and consistent representations across different views. In this paper, we form a new pipeline to learn consistent representations across varying views, and propose the multi-view Contrastive Prediction model for urban Region embedding (ReCP), which leverages the multiple information views from point-of-interest (POI) and human mobility data. Specifically, ReCP comprises two major modules, namely an intra-view learning module utilizing contrastive learning and feature reconstruction to capture the unique information from each single view, and inter-view learning module that perceives the consistency between the two views using a contrastive prediction learning scheme. We conduct thorough experiments on two downstream tasks to assess the proposed model, i.e., land use clustering and region popularity prediction. The experimental results demonstrate that our model outperforms state-of-the-art baseline methods significantly in urban region representation learning.  ( 2 min )

We propose a systematic analysis of deep neural networks (DNNs) based on a signal processing technique for network parameter removal, in the form of synaptic filters that identifies the fragility, robustness and antifragility characteristics of DNN parameters. Our proposed analysis investigates if the DNN performance is impacted negatively, invariantly, or positively on both clean and adversarially perturbed test datasets when the DNN undergoes synaptic filtering. We define three \textit{filtering scores} for quantifying the fragility, robustness and antifragility characteristics of DNN parameters based on the performances for (i) clean dataset, (ii) adversarial dataset, and (iii) the difference in performances of clean and adversarial datasets. We validate the proposed systematic analysis on ResNet-18, ResNet-50, SqueezeNet-v1.1 and ShuffleNet V2 x1.0 network architectures for MNIST, CIFAR10 and Tiny ImageNet datasets. The filtering scores, for a given network architecture, identify network parameters that are invariant in characteristics across different datasets over learning epochs. Vice-versa, for a given dataset, the filtering scores identify the parameters that are invariant in characteristics across different network architectures. We show that our synaptic filtering method improves the test accuracy of ResNet and ShuffleNet models on adversarial datasets when only the robust and antifragile parameters are selectively retrained at any given epoch, thus demonstrating applications of the proposed strategy in improving model robustness.  ( 2 min )

This report proposes a model to predict the location of the most deprived areas in a city using data from the census. A census data is very high dimensional and needs to be simplified. We use a novel algorithm to reduce dimensionality and find patterns: The diffusion map. Features are defined by eigenvectors of the Laplacian matrix that defines the diffusion map. Eigenvectors corresponding to the smallest eigenvalues indicate specific population features. Previous work has found qualitatively that the second most important dimension for describing the census data in Bristol is linked to deprivation. In this report, we analyse how good this dimension is as a model for predicting deprivation by comparing with the recognised measures. The Pearson correlation coefficient was found to be over 0.7. The top 10 per cent of deprived areas in the UK which also locate in Bristol are extracted to test the accuracy of the model. There are 52 most deprived areas, and 38 areas are correctly identified by comparing to the model. The influence of scores of IMD domains that do not correlate with the models, Eigenvector 2 entries of non-deprived OAs and orthogonality of Eigenvectors cause the model to fail the prediction of 14 deprived areas. However, overall, the model shows a high performance to predict the future deprivation of overall areas where the project considers. This project is expected to support the government to allocate resources and funding.  ( 2 min )

Occluded person re-identification (ReID) is a very challenging task due to the occlusion disturbance and incomplete target information. Leveraging external cues such as human pose or parsing to locate and align part features has been proven to be very effective in occluded person ReID. Meanwhile, recent Transformer structures have a strong ability of long-range modeling. Considering the above facts, we propose a Teacher-Student Decoder (TSD) framework for occluded person ReID, which utilizes the Transformer decoder with the help of human parsing. More specifically, our proposed TSD consists of a Parsing-aware Teacher Decoder (PTD) and a Standard Student Decoder (SSD). PTD employs human parsing cues to restrict Transformer's attention and imparts this information to SSD through feature distillation. Thereby, SSD can learn from PTD to aggregate information of body parts automatically. Moreover, a mask generator is designed to provide discriminative regions for better ReID. In addition, existing occluded person ReID benchmarks utilize occluded samples as queries, which will amplify the role of alleviating occlusion interference and underestimate the impact of the feature absence issue. Contrastively, we propose a new benchmark with non-occluded queries, serving as a complement to the existing benchmark. Extensive experiments demonstrate that our proposed method is superior and the new benchmark is essential. The source codes are available at https://github.com/hh23333/TSD.  ( 3 min )

This paper studies the problem of CPRP, concept prerequisite relation prediction, which is a fundamental task in using AI for education. CPRP is usually formulated into a link-prediction task on a relationship graph of concepts and solved by training the graph neural network (GNN) model. However, current directed GNNs fail to manage graph isomorphism which refers to the invariance of non-isomorphic graphs, reducing the expressivity of resulting representations. We present a permutation-equivariant directed GNN model by introducing the Weisfeiler-Lehman test into directed GNN learning. Our method is then used for CPRP and evaluated on three public datasets. The experimental results show that our model delivers better prediction performance than the state-of-the-art methods.  ( 2 min )

Support vector machines (SVMs) are well-studied supervised learning models for binary classification. In many applications, large amounts of samples can be cheaply and easily obtained. What is often a costly and error-prone process is to manually label these instances. Semi-supervised support vector machines (S3VMs) extend the well-known SVM classifiers to the semi-supervised approach, aiming at maximizing the margin between samples in the presence of unlabeled data. By leveraging both labeled and unlabeled data, S3VMs attempt to achieve better accuracy and robustness compared to traditional SVMs. Unfortunately, the resulting optimization problem is non-convex and hence difficult to solve exactly. In this paper, we present a new branch-and-cut approach for S3VMs using semidefinite programming (SDP) relaxations. We apply optimality-based bound tightening to bound the feasible set. Box constraints allow us to include valid inequalities, strengthening the lower bound. The resulting SDP relaxation provides bounds significantly stronger than the ones available in the literature. For the upper bound, instead, we define a local search exploiting the solution of the SDP relaxation. Computational results highlight the efficiency of the algorithm, showing its capability to solve instances with a number of data points 10 times larger than the ones solved in the literature.  ( 2 min )

In the past, the field of drum source separation faced significant challenges due to limited data availability, hindering the adoption of cutting-edge deep learning methods that have found success in other related audio applications. In this manuscript, we introduce StemGMD, a large-scale audio dataset of isolated single-instrument drum stems. Each audio clip is synthesized from MIDI recordings of expressive drums performances using ten real-sounding acoustic drum kits. Totaling 1224 hours, StemGMD is the largest audio dataset of drums to date and the first to comprise isolated audio clips for every instrument in a canonical nine-piece drum kit. We leverage StemGMD to develop LarsNet, a novel deep drum source separation model. Through a bank of dedicated U-Nets, LarsNet can separate five stems from a stereo drum mixture faster than real-time and is shown to significantly outperform state-of-the-art nonnegative spectro-temporal factorization methods.  ( 2 min )

As the number and complexity of malware attacks continue to increase, there is an urgent need for effective malware detection systems. While deep learning models are effective at detecting malware, they are vulnerable to adversarial attacks. Attacks like this can create malicious files that are resistant to detection, creating a significant cybersecurity risk. Recent research has seen the development of several adversarial attack and response approaches aiming at strengthening deep learning models' resilience to such attacks. This survey study offers an in-depth look at current research in adversarial attack and defensive strategies for malware classification in cybersecurity. The methods are classified into four categories: generative models, feature-based approaches, ensemble methods, and hybrid tactics. The article outlines cutting-edge procedures within each area, assessing their benefits and drawbacks. Each topic presents cutting-edge approaches and explores their advantages and disadvantages. In addition, the study discusses the datasets and assessment criteria that are often utilized on this subject. Finally, it identifies open research difficulties and suggests future study options. This document is a significant resource for malware categorization and cyber security researchers and practitioners.  ( 2 min )

Explaining predictions of black-box neural networks is crucial when applied to decision-critical tasks. Thus, attribution maps are commonly used to identify important image regions, despite prior work showing that humans prefer explanations based on similar examples. To this end, ProtoPNet learns a set of class-representative feature vectors (prototypes) for case-based reasoning. During inference, similarities of latent features to prototypes are linearly classified to form predictions and attribution maps are provided to explain the similarity. In this work, we evaluate whether architectures for case-based reasoning fulfill established axioms required for faithful explanations using the example of ProtoPNet. We show that such architectures allow the extraction of faithful explanations. However, we prove that the attribution maps used to explain the similarities violate the axioms. We propose a new procedure to extract explanations for trained ProtoPNets, named ProtoPFaith. Conceptually, these explanations are Shapley values, calculated on the similarity scores of each prototype. They allow to faithfully answer which prototypes are present in an unseen image and quantify each pixel's contribution to that presence, thereby complying with all axioms. The theoretical violations of ProtoPNet manifest in our experiments on three datasets (CUB-200-2011, Stanford Dogs, RSNA) and five architectures (ConvNet, ResNet, ResNet50, WideResNet50, ResNeXt50). Our experiments show a qualitative difference between the explanations given by ProtoPNet and ProtoPFaith. Additionally, we quantify the explanations with the Area Over the Perturbation Curve, on which ProtoPFaith outperforms ProtoPNet on all experiments by a factor $>10^3$.  ( 3 min )

There are increasingly efficient data processing pipelines that work on vectors of numbers, for instance most machine learning models, or vector databases for fast similarity search. These require converting the data to numbers. While this conversion is easy for simple numerical and categorical entries, databases are strife with text entries, such as names or descriptions. In the age of large language models, what's the best strategies to vectorize tables entries, baring in mind that larger models entail more operational complexity? We study the benefits of language models in 14 analytical tasks on tables while varying the training size, as well as for a fuzzy join benchmark. We introduce a simple characterization of a column that reveals two settings: 1) a dirty categories setting, where strings share much similarities across entries, and conversely 2) a diverse entries setting. For dirty categories, pretrained language models bring little-to-no benefit compared to simpler string models. For diverse entries, we show that larger language models improve data processing. For these we investigate the complexity-performance tradeoffs and show that they reflect those of classic text embedding: larger models tend to perform better, but it is useful to fine tune them for embedding purposes.  ( 2 min )

In this paper, we derive a PAC-Bayes bound on the generalisation gap, in a supervised time-series setting for a special class of discrete-time non-linear dynamical systems. This class includes stable recurrent neural networks (RNN), and the motivation for this work was its application to RNNs. In order to achieve the results, we impose some stability constraints, on the allowed models. Here, stability is understood in the sense of dynamical systems. For RNNs, these stability conditions can be expressed in terms of conditions on the weights. We assume the processes involved are essentially bounded and the loss functions are Lipschitz. The proposed bound on the generalisation gap depends on the mixing coefficient of the data distribution, and the essential supremum of the data. Furthermore, the bound converges to zero as the dataset size increases. In this paper, we 1) formalize the learning problem, 2) derive a PAC-Bayesian error bound for such systems, 3) discuss various consequences of this error bound, and 4) show an illustrative example, with discussions on computing the proposed bound. Unlike other available bounds the derived bound holds for non i.i.d. data (time-series) and it does not grow with the number of steps of the RNN.  ( 2 min )

The development of biophysical models for clinical applications is rapidly advancing in the research community, thanks to their predictive nature and their ability to assist the interpretation of clinical data. However, high-resolution and accurate multi-physics computational models are computationally expensive and their personalisation involves fine calibration of a large number of parameters, which may be space-dependent, challenging their clinical translation. In this work, we propose a new approach which relies on the combination of physics-informed neural networks (PINNs) with three-dimensional soft tissue nonlinear biomechanical models, capable of reconstructing displacement fields and estimating heterogeneous patient-specific biophysical properties. The proposed learning algorithm encodes information from a limited amount of displacement and, in some cases, strain data, that can be routinely acquired in the clinical setting, and combines it with the physics of the problem, represented by a mathematical model based on partial differential equations, to regularise the problem and improve its convergence properties. Several benchmarks are presented to show the accuracy and robustness of the proposed method and its great potential to enable the robust and effective identification of patient-specific, heterogeneous physical properties, s.a. tissue stiffness properties. In particular, we demonstrate the capability of the PINN to detect the presence, location and severity of scar tissue, which is beneficial to develop personalised simulation models for disease diagnosis, especially for cardiac applications.  ( 3 min )

Machine learning techniques often lack formal correctness guarantees. This is evidenced by the widespread adversarial examples that plague most deep-learning applications. This resulted in several research efforts that aim at verifying deep neural networks, with a particular focus on safety-critical applications. However, formal verification techniques still face major scalability and precision challenges when dealing with the complexity of such networks. The over-approximation introduced during the formal verification process to tackle the scalability challenge often results in inconclusive analysis. To address this challenge, we propose a novel framework to generate Verification-friendly Neural Networks (VNNs). We present a post-training optimization framework to achieve a balance between preserving prediction performance and robustness in the resulting networks. Our proposed framework proves to result in networks that are comparable to the original ones in terms of prediction performance, while amenable to verification. This essentially enables us to establish robustness for more VNNs than their deep neural network counterparts, in a more time-efficient manner.  ( 2 min )

Invariant representation learning (IRL) encourages the prediction from invariant causal features to labels de-confounded from the environments, advancing the technical roadmap of out-of-distribution (OOD) generalization. Despite spotlights around, recent theoretical results verified that some causal features recovered by IRLs merely pretend domain-invariantly in the training environments but fail in unseen domains. The \emph{fake invariance} severely endangers OOD generalization since the trustful objective can not be diagnosed and existing causal surgeries are invalid to rectify. In this paper, we review a IRL family (InvRat) under the Partially and Fully Informative Invariant Feature Structural Causal Models (PIIF SCM /FIIF SCM) respectively, to certify their weaknesses in representing fake invariant features, then, unify their causal diagrams to propose ReStructured SCM (RS-SCM). RS-SCM can ideally rebuild the spurious and the fake invariant features simultaneously. Given this, we further develop an approach based on conditional mutual information with respect to RS-SCM, then rigorously rectify the spurious and fake invariant effects. It can be easily implemented by a small feature selection subnet introduced in the IRL family, which is alternatively optimized to achieve our goal. Experiments verified the superiority of our approach to fight against the fake invariant issue across a variety of OOD generalization benchmarks.  ( 2 min )

Using machine learning (ML) techniques to predict material properties is a crucial research topic. These properties depend on numerical data and semantic factors. Due to the limitations of small-sample datasets, existing methods typically adopt ML algorithms to regress numerical properties or transfer other pre-trained knowledge graphs (KGs) to the material. However, these methods cannot simultaneously handle semantic and numerical information. In this paper, we propose a numerical reasoning method for material KGs (NR-KG), which constructs a cross-modal KG using semantic nodes and numerical proxy nodes. It captures both types of information by projecting KG into a canonical KG and utilizes a graph neural network to predict material properties. In this process, a novel projection prediction loss is proposed to extract semantic features from numerical information. NR-KG facilitates end-to-end processing of cross-modal data, mining relationships and cross-modal information in small-sample datasets, and fully utilizes valuable experimental data to enhance material prediction. We further propose two new High-Entropy Alloys (HEA) property datasets with semantic descriptions. NR-KG outperforms state-of-the-art (SOTA) methods, achieving relative improvements of 25.9% and 16.1% on two material datasets. Besides, NR-KG surpasses SOTA methods on two public physical chemistry molecular datasets, showing improvements of 22.2% and 54.3%, highlighting its potential application and generalizability. We hope the proposed datasets, algorithms, and pre-trained models can facilitate the communities of KG and AI for materials.  ( 3 min )

We consider regret minimization in a general collaborative multi-agent multi-armed bandit model, in which each agent faces a finite set of arms and may communicate with other agents through a central controller. The optimal arm for each agent in this model is the arm with the largest expected mixed reward, where the mixed reward of each arm is a weighted average of its rewards across all agents, making communication among agents crucial. While near-optimal sample complexities for best arm identification are known under this collaborative model, the question of optimal regret remains open. In this work, we address this problem and propose the first algorithm with order optimal regret bounds under this collaborative bandit model. Furthermore, we show that only a small constant number of expected communication rounds is needed.  ( 2 min )

The rapid evolution of speech synthesis and voice conversion has raised substantial concerns due to the potential misuse of such technology, prompting a pressing need for effective audio deepfake detection mechanisms. Existing detection models have shown remarkable success in discriminating known deepfake audio, but struggle when encountering new attack types. To address this challenge, one of the emergent effective approaches is continual learning. In this paper, we propose a continual learning approach called Radian Weight Modification (RWM) for audio deepfake detection. The fundamental concept underlying RWM involves categorizing all classes into two groups: those with compact feature distributions across tasks, such as genuine audio, and those with more spread-out distributions, like various types of fake audio. These distinctions are quantified by means of the in-class cosine distance, which subsequently serves as the basis for RWM to introduce a trainable gradient modification direction for distinct data types. Experimental evaluations against mainstream continual learning methods reveal the superiority of RWM in terms of knowledge acquisition and mitigating forgetting in audio deepfake detection. Furthermore, RWM's applicability extends beyond audio deepfake detection, demonstrating its potential significance in diverse machine learning domains such as image recognition.  ( 2 min )

Hypergraphs are vital in modelling data with higher-order relations containing more than two entities, gaining prominence in machine learning and signal processing. Many hypergraph neural networks leverage message passing over hypergraph structures to enhance node representation learning, yielding impressive performances in tasks like hypergraph node classification. However, these message-passing-based models face several challenges, including oversmoothing as well as high latency and sensitivity to structural perturbations at inference time. To tackle those challenges, we propose an alternative approach where we integrate the information about hypergraph structures into training supervision without explicit message passing, thus also removing the reliance on it at inference. Specifically, we introduce Hypergraph-MLP, a novel learning framework for hypergraph-structured data, where the learning model is a straightforward multilayer perceptron (MLP) supervised by a loss function based on a notion of signal smoothness on hypergraphs. Experiments on hypergraph node classification tasks demonstrate that Hypergraph-MLP achieves competitive performance compared to existing baselines, and is considerably faster and more robust against structural perturbations at inference.  ( 2 min )

In this paper we propose a new method for training neural networks (NNs) for frequency modulated continuous wave (FMCW) radar mutual interference mitigation. Instead of training NNs to regress from interfered to clean radar signals as in previous work, we train NNs directly on object detection maps. We do so by performing a continuous relaxation of the cell-averaging constant false alarm rate (CA-CFAR) peak detector, which is a well-established algorithm for object detection using radar. With this new training objective we are able to increase object detection performance by a large margin. Furthermore, we introduce separable convolution kernels to strongly reduce the number of parameters and computational complexity of convolutional NN architectures for radar applications. We validate our contributions with experiments on real-world measurement data and compare them against signal processing interference mitigation methods.  ( 2 min )

This paper presents a method for learning Hamiltonian dynamics from a limited set of data points. The Hamiltonian vector field is found by regularized optimization over a reproducing kernel Hilbert space of vector fields that are inherently Hamiltonian, and where the vector field is required to be odd or even. This is done with a symplectic kernel, and it is shown how this symplectic kernel can be modified to be odd or even. The performance of the method is validated in simulations for two Hamiltonian systems. It is shown that the learned dynamics are Hamiltonian, and that the learned Hamiltonian vector field can be prescribed to be odd or even.  ( 2 min )

This paper proposes an extension to conventional regression Neural Networks (NNs) for replacing the point predictions they produce with prediction intervals that satisfy a required level of confidence. Our approach follows a novel machine learning framework, called Conformal Prediction (CP), for assigning reliable confidence measures to predictions without assuming anything more than that the data are independent and identically distributed (i.i.d.). We evaluate the proposed method on four benchmark datasets and on the problem of predicting Total Electron Content (TEC), which is an important parameter in trans-ionospheric links; for the latter we use a dataset of more than 60000 TEC measurements collected over a period of 11 years. Our experimental results show that the prediction intervals produced by our method are both well-calibrated and tight enough to be useful in practice.  ( 2 min )

Controlling systems governed by partial differential equations is an inherently hard problem. Specifically, control of wave dynamics is challenging due to additional physical constraints and intrinsic properties of wave phenomena such as dissipation, attenuation, reflection, and scattering. In this work, we introduce an environment designed for the study of the control of acoustic waves by actuated metamaterial designs. We utilize this environment for the development of a novel machine-learning method, based on deep neural networks, for efficiently learning the dynamics of an acoustic PDE from samples. Our model is fully interpretable and maps physical constraints and intrinsic properties of the real acoustic environment into its latent representation of information. Within our model we use a trainable perfectly matched layer to explicitly learn the property of acoustic energy dissipation. Our model can be used to predict and control scattered wave energy. The capabilities of our model are demonstrated on an important problem in acoustics, which is the minimization of total scattered energy. Furthermore, we show that the prediction of scattered energy by our model generalizes in time and can be extended to long time horizons. We make our code repository publicly available.  ( 2 min )

Reinforcement learning (RL) agents need to explore their environments in order to learn optimal policies. In many environments and tasks, safety is of critical importance. The widespread use of simulators offers a number of advantages, including safe exploration which will be inevitable in cases when RL systems need to be trained directly in the physical environment (e.g. in human-robot interaction). The popular Safety Gym library offers three mobile agent types that can learn goal-directed tasks while considering various safety constraints. In this paper, we extend the applicability of safe RL algorithms by creating a customized environment with Panda robotic arm where Safety Gym algorithms can be tested. We performed pilot experiments with the popular PPO algorithm comparing the baseline with the constrained version and show that the constrained version is able to learn the equally good policy while better complying with safety constraints and taking longer training time as expected.  ( 2 min )

The application of counterfactual explanation (CE) techniques in the realm of electroencephalography (EEG) classification has been relatively infrequent in contemporary research. In this study, we attempt to introduce and explore a novel non-generative approach to CE, specifically tailored for the analysis of EEG signals. This innovative approach assesses the model's decision-making process by strategically swapping patches derived from time-frequency analyses. By meticulously examining the variations and nuances introduced in the classification outcomes through this method, we aim to derive insights that can enhance interpretability. The empirical results obtained from our experimental investigations serve not only to validate the efficacy of our proposed approach but also to reinforce human confidence in the model's predictive capabilities. Consequently, these findings underscore the significance and potential value of conducting further, more extensive research in this promising direction.  ( 2 min )

Congenital heart disease (CHD) is a relatively rare disease that affects patients at birth and results in extremely heterogeneous anatomical and functional defects. 12-lead ECG signal is routinely collected in CHD patients because it provides significant biomarkers for disease prognosis. However, developing accurate machine learning models is challenging due to the lack of large available datasets. Here, we suggest exploiting the Riemannian geometry of the spatial covariance structure of the ECG signal to improve classification. Firstly, we use covariance augmentation to mix samples across the Riemannian geodesic between corresponding classes. Secondly, we suggest to project the covariance matrices to their respective class Riemannian mean to enhance the quality of feature extraction via tangent space projection. We perform several ablation experiments and demonstrate significant improvement compared to traditional machine learning models and deep learning on ECG time series data.  ( 2 min )

There has been significant attention devoted to the effectiveness of various domains, such as semi-supervised learning, contrastive learning, and meta-learning, in enhancing the performance of methods for noisy label learning (NLL) tasks. However, most existing methods still depend on prior assumptions regarding clean samples amidst different sources of noise (\eg, a pre-defined drop rate or a small subset of clean samples). In this paper, we propose a simple yet powerful idea called \textbf{NPN}, which revolutionizes \textbf{N}oisy label learning by integrating \textbf{P}artial label learning (PLL) and \textbf{N}egative learning (NL). Toward this goal, we initially decompose the given label space adaptively into the candidate and complementary labels, thereby establishing the conditions for PLL and NL. We propose two adaptive data-driven paradigms of label disambiguation for PLL: hard disambiguation and soft disambiguation. Furthermore, we generate reliable complementary labels using all non-candidate labels for NL to enhance model robustness through indirect supervision. To maintain label reliability during the later stage of model training, we introduce a consistency regularization term that encourages agreement between the outputs of multiple augmentations. Experiments conducted on both synthetically corrupted and real-world noisy datasets demonstrate the superiority of NPN compared to other state-of-the-art (SOTA) methods. The source code has been made available at {\color{purple}{\url{https://github.com/NUST-Machine-Intelligence-Laboratory/NPN}}}.  ( 3 min )

Trajectory prediction is an important task that involves modeling the indeterminate nature of traffic actors to forecast future trajectories given the observed trajectory sequences. However, current methods confine themselves to presumed data manifolds, assuming that trajectories strictly adhere to these manifolds, resulting in overly simplified predictions. To this end, we propose a novel approach called SSWNP (Self-Supervised Waypoint Noise Prediction). In our approach, we first create clean and noise-augmented views of past observed trajectories across the spatial domain of waypoints. We then compel the trajectory prediction model to maintain spatial consistency between predictions from these two views, in addition to the trajectory prediction task. Introducing the noise-augmented view mitigates the model's reliance on a narrow interpretation of the data manifold, enabling it to learn more plausible and diverse representations. We also predict the noise present in the two views of past observed trajectories as an auxiliary self-supervised task, enhancing the model's understanding of the underlying representation and future predictions. Empirical evidence demonstrates that the incorporation of SSWNP into the model learning process significantly improves performance, even in noisy environments, when compared to baseline methods. Our approach can complement existing trajectory prediction methods. To showcase the effectiveness of our approach, we conducted extensive experiments on three datasets: NBA Sports VU, ETH-UCY, and TrajNet++, with experimental results highlighting the substantial improvement achieved in trajectory prediction tasks.  ( 2 min )

State-of-the-art anomalous sound detection (ASD) systems are often trained by using an auxiliary classification task to learn an embedding space. Doing so enables the system to learn embeddings that are robust to noise and are ignoring non-target sound events but requires manually annotated meta information to be used as class labels. However, the less difficult the classification task becomes, the less informative are the embeddings and the worse is the resulting ASD performance. A solution to this problem is to utilize self-supervised learning (SSL). In this work, feature exchange (FeatEx), a simple yet effective SSL approach for ASD, is proposed. In addition, FeatEx is compared to and combined with existing SSL approaches. As the main result, a new state-of-the-art performance for the DCASE2023 ASD dataset is obtained that outperforms all other published results on this dataset by a large margin.  ( 2 min )

Despite being a unique source of information on patients' status and disease progression, clinical notes are characterized by high levels of duplication and information redundancy. In general domain text, it has been shown that deduplication does not harm language model (LM) pretraining, thus helping reduce the training cost. Although large LMs have proven to learn medical knowledge, they still require specialized domain adaptation for improved downstream clinical tasks. By leveraging large real-world clinical corpora, we first provided a fine-grained characterization of duplicates stemming from common writing practices and clinical relevancy. Second, we demonstrated that deduplicating clinical text can help clinical LMs encode less redundant information in a more efficient manner and do not harm classification tasks via prompt-based learning.  ( 2 min )

Globally, cardiovascular diseases (CVDs) are the leading cause of mortality, accounting for an estimated 17.9 million deaths annually. One critical clinical objective is the early detection of CVDs using electrocardiogram (ECG) data, an area that has received significant attention from the research community. Recent advancements based on machine learning and deep learning have achieved great progress in this domain. However, existing methodologies exhibit inherent limitations, including inappropriate model evaluations and instances of data leakage. In this study, we present a streamlined workflow paradigm for preprocessing ECG signals into consistent 10-second durations, eliminating the need for manual feature extraction/beat detection. We also propose a hybrid model of Long Short-Term Memory (LSTM) with Support Vector Machine (SVM) for fraud detection. This architecture consists of two LSTM layers and an SVM classifier, which achieves a SOTA results with an Average precision score of 0.9402 on the MIT-BIH arrhythmia dataset and 0.9563 on the MIT-BIH atrial fibrillation dataset. Based on the results, we believe our method can significantly benefit the early detection and management of CVDs.  ( 2 min )

Binary code summarization, while invaluable for understanding code semantics, is challenging due to its labor-intensive nature. This study delves into the potential of large language models (LLMs) for binary code comprehension. To this end, we present BinSum, a comprehensive benchmark and dataset of over 557K binary functions and introduce a novel method for prompt synthesis and optimization. To more accurately gauge LLM performance, we also propose a new semantic similarity metric that surpasses traditional exact-match approaches. Our extensive evaluation of prominent LLMs, including ChatGPT, GPT-4, Llama 2, and Code Llama, reveals 10 pivotal insights. This evaluation generates 4 billion inference tokens, incurred a total expense of 11,418 US dollars and 873 NVIDIA A100 GPU hours. Our findings highlight both the transformative potential of LLMs in this field and the challenges yet to be overcome.  ( 2 min )

Driving Automation Systems (DAS) are subject to complex road environments and vehicle behaviors and increasingly rely on sophisticated sensors and Artificial Intelligence (AI). These properties give rise to unique safety faults stemming from specification insufficiencies and technological performance limitations, where sensors and AI introduce errors that vary in magnitude and temporal patterns, posing potential safety risks. The Safety of the Intended Functionality (SOTIF) standard emerges as a promising framework for addressing these concerns, focusing on scenario-based analysis to identify hazardous behaviors and their causes. Although the current standard provides a basic cause-and-effect model and high-level process guidance, it lacks concepts required to identify and evaluate hazardous errors, especially within the context of AI. This paper introduces two key contributions to bridge this gap. First, it defines the SOTIF Temporal Error and Failure Model (STEAM) as a refinement of the SOTIF cause-and-effect model, offering a comprehensive system-design perspective. STEAM refines error definitions, introduces error sequences, and classifies them as error sequence patterns, providing particular relevance to systems employing advanced sensors and AI. Second, this paper proposes the Model-based SOTIF Analysis of Failures and Errors (MoSAFE) method, which allows instantiating STEAM based on system-design models by deriving hazardous error sequence patterns at module level from hazardous behaviors at vehicle level via weakest precondition reasoning. Finally, the paper presents a case study centered on an automated speed-control feature, illustrating the practical applicability of the refined model and the MoSAFE method in addressing complex safety challenges in DAS.  ( 3 min )

Abnormal driver states, particularly have been major concerns for road safety, emphasizing the importance of accurate drowsiness detection to prevent accidents. Electroencephalogram (EEG) signals are recognized for their effectiveness in monitoring a driver's mental state by monitoring brain activities. However, the challenge lies in the requirement for prior calibration due to the variation of EEG signals among and within individuals. The necessity of calibration has made the brain-computer interface (BCI) less accessible. We propose a practical generalized framework for classifying driver drowsiness states to improve accessibility and convenience. We separate the normalization process for each driver, treating them as individual domains. The goal of developing a general model is similar to that of domain generalization. The framework considers the statistics of each domain separately since they vary among domains. We experimented with various normalization methods to enhance the ability to generalize across subjects, i.e. the model's generalization performance of unseen domains. The experiments showed that applying individual domain-specific normalization yielded an outstanding improvement in generalizability. Furthermore, our framework demonstrates the potential and accessibility by removing the need for calibration in BCI applications.  ( 2 min )

Electroencephalografic (EEG) data are complex multi-dimensional time-series that are very useful in many applications, from diagnostics to driving brain-computer interface systems. Their classification is still a challenging task, due to the inherent within- and between-subject variability and their low signal-to-noise ratio. On the other hand, the reconstruction of raw EEG data is even more difficult because of the high temporal resolution of these signals. Recent literature has proposed numerous machine and deep learning models that could classify, e.g., different types of movements, with an accuracy in the range 70% to 80% (with 4 classes). On the other hand, a limited number of works targeted the reconstruction problem, with very limited results. In this work, we propose vEEGNet, a DL architecture with two modules, i.e., an unsupervised module based on variational autoencoders to extract a latent representation of the data, and a supervised module based on a feed-forward neural network to classify different movements. To build the encoder and the decoder of VAE we exploited the well-known EEGNet network. We implemented two slightly different architectures of vEEGNet, thus showing state-of-the-art classification performance, and the ability to reconstruct both low-frequency and middle-range components of the raw EEG. Although preliminary, this work is promising as we found out that the low-frequency reconstructed signals are consistent with the so-called motor-related cortical potentials, well-known motor-related EEG patterns and we could improve over previous literature by reconstructing faster EEG components, too. Further investigations are needed to explore the potentialities of vEEGNet in reconstructing the full EEG data, generating new samples, and studying the relationship between classification and reconstruction performance.  ( 3 min )

Despite the remarkable advances in deep learning technology, achieving satisfactory performance in lung sound classification remains a challenge due to the scarcity of available data. Moreover, the respiratory sound samples are collected from a variety of electronic stethoscopes, which could potentially introduce biases into the trained models. When a significant distribution shift occurs within the test dataset or in a practical scenario, it can substantially decrease the performance. To tackle this issue, we introduce cross-domain adaptation techniques, which transfer the knowledge from a source domain to a distinct target domain. In particular, by considering different stethoscope types as individual domains, we propose a novel stethoscope-guided supervised contrastive learning approach. This method can mitigate any domain-related disparities and thus enables the model to distinguish respiratory sounds of the recording variation of the stethoscope. The experimental results on the ICBHI dataset demonstrate that the proposed methods are effective in reducing the domain dependency and achieving the ICBHI Score of 61.71%, which is a significant improvement of 2.16% over the baseline.  ( 2 min )

In this article, the state estimation problems with unknown process noise and measurement noise covariances for both linear and nonlinear systems are considered. By formulating the joint estimation of system state and noise parameters into an optimization problem, a novel adaptive Kalman filter method based on conjugate-computation variational inference, referred to as CVIAKF, is proposed to approximate the joint posterior probability density function of the latent variables. Unlike the existing adaptive Kalman filter methods utilizing variational inference in natural-parameter space, CVIAKF performs optimization in expectation-parameter space, resulting in a faster and simpler solution. Meanwhile, CVIAKF divides optimization objectives into conjugate and non-conjugate parts of nonlinear dynamical models, whereas conjugate computations and stochastic mirror-descent are applied, respectively. Remarkably, the reparameterization trick is used to reduce the variance of stochastic gradients of the non-conjugate parts. The effectiveness of CVIAKF is validated through synthetic and real-world datasets of maneuvering target tracking.  ( 2 min )

In this paper we explore the challenges and strategies for enhancing the robustness of $k$-means clustering algorithms against adversarial manipulations. We evaluate the vulnerability of clustering algorithms to adversarial attacks, emphasising the associated security risks. Our study investigates the impact of incremental attack strength on training, introduces the concept of transferability between supervised and unsupervised models, and highlights the sensitivity of unsupervised models to sample distributions. We additionally introduce and evaluate an adversarial training method that improves testing performance in adversarial scenarios, and we highlight the importance of various parameters in the proposed training method, such as continuous learning, centroid initialisation, and adversarial step-count.  ( 2 min )

Ordinal learning (OL) is a type of machine learning models with broad utility in health care applications such as diagnosis of different grades of a disease (e.g., mild, modest, severe) and prediction of the speed of disease progression (e.g., very fast, fast, moderate, slow). This paper aims to tackle a situation when precisely labeled samples are limited in the training set due to cost or availability constraints, whereas there could be an abundance of samples with imprecise labels. We focus on imprecise labels that are intervals, i.e., one can know that a sample belongs to an interval of labels but cannot know which unique label it has. This situation is quite common in health care datasets due to limitations of the diagnostic instrument, sparse clinical visits, or/and patient dropout. Limited research has been done to develop OL models with imprecise/interval labels. We propose a new Hybrid Ordinal Learner (HOL) to integrate samples with both precise and interval labels to train a robust OL model. We also develop a tractable and efficient optimization algorithm to solve the HOL formulation. We compare HOL with several recently developed OL methods on four benchmarking datasets, which demonstrate the superior performance of HOL. Finally, we apply HOL to a real-world dataset for predicting the speed of progressing to Alzheimer's Disease (AD) for individuals with Mild Cognitive Impairment (MCI) based on a combination of multi-modality neuroimaging and demographic/clinical datasets. HOL achieves high accuracy in the prediction and outperforms existing methods. The capability of accurately predicting the speed of progression to AD for each individual with MCI has the potential for helping facilitate more individually-optimized interventional strategies.  ( 3 min )

Our study focuses on the potential for modifications of Inception-like architecture within the electrocardiogram (ECG) domain. To this end, we introduce IncepSE, a novel network characterized by strategic architectural incorporation that leverages the strengths of both InceptionTime and channel attention mechanisms. Furthermore, we propose a training setup that employs stabilization techniques that are aimed at tackling the formidable challenges of severe imbalance dataset PTB-XL and gradient corruption. By this means, we manage to set a new height for deep learning model in a supervised learning manner across the majority of tasks. Our model consistently surpasses InceptionTime by substantial margins compared to other state-of-the-arts in this domain, noticeably 0.013 AUROC score improvement in the "all" task, while also mitigating the inherent dataset fluctuations during training.  ( 2 min )

Radio signal recognition is a crucial function in electronic warfare. Precise identification and localisation of radar pulse activities are required by electronic warfare systems to produce effective countermeasures. Despite the importance of these tasks, deep learning-based radar pulse activity recognition methods have remained largely underexplored. While deep learning for radar modulation recognition has been explored previously, classification tasks are generally limited to short and non-interleaved IQ signals, limiting their applicability to military applications. To address this gap, we introduce an end-to-end multi-stage learning approach to detect and localise pulse activities of interleaved radar signals across an extended time horizon. We propose a simple, yet highly effective multi-stage architecture for incrementally predicting fine-grained segmentation masks that localise radar pulse activities across multiple channels. We demonstrate the performance of our approach against several reference models on a novel radar dataset, while also providing a first-of-its-kind benchmark for radar pulse activity segmentation.  ( 2 min )

In modern collider experiments, the quest to explore fundamental interactions between elementary particles has reached unparalleled levels of precision. Signatures from particle physics detectors are low-level objects encoding the physics of collisions. The complete simulation of them in a detector is a memory and storage-intensive task. To address this computational bottleneck in particle physics, "Fast Simulation" has been introduced and refined over the years. The field has seen a surge in interest in surrogate modeling the detector simulation, fueled by the advancements in deep generative models. These models aim to generate responses that are statistically identical to the observed data. In this paper, we conduct a comprehensive and exhaustive taxonomic review of the existing literature on the simulation of detector signatures from both methodological and application-wise perspectives. Initially, we formulate the problem of detector signature simulation and discuss its different variations that can be unified. Next, we classify the state-of-the-art methods into four distinct categories based on their underlying model architectures, summarizing their respective generation strategies. We then identify and discuss three key application areas. Finally, we shed light on the challenges and opportunities that lie ahead in detector signature simulation, setting the stage for future research and development.  ( 2 min )

$B_1^+$ and $B_0$ field-inhomogeneities can significantly reduce accuracy and robustness of MRF's quantitative parameter estimates. Additional $B_1^+$ and $B_0$ calibration scans can mitigate this but add scan time and cannot be applied retrospectively to previously collected data. Here, we proposed a calibration-free sequence-adaptive deep-learning framework, to estimate and correct for $B_1^+$ and $B_0$ effects of any MRF sequence. We demonstrate its capability on arbitrary MRF sequences at 3T, where no training data were previously obtained. Such approach can be applied to any previously-acquired and future MRF-scans. The flexibility in directly applying this framework to other quantitative sequences is also highlighted.  ( 2 min )

While recent test-time adaptations exhibit efficacy by adjusting batch normalization to narrow domain disparities, their effectiveness diminishes with realistic mini-batches due to inaccurate target estimation. As previous attempts merely introduce source statistics to mitigate this issue, the fundamental problem of inaccurate target estimation still persists, leaving the intrinsic test-time domain shifts unresolved. This paper delves into the problem of mini-batch degradation. By unraveling batch normalization, we discover that the inexact target statistics largely stem from the substantially reduced class diversity in batch. Drawing upon this insight, we introduce a straightforward tool, Test-time Exponential Moving Average (TEMA), to bridge the class diversity gap between training and testing batches. Importantly, our TEMA adaptively extends the scope of typical methods beyond the current batch to incorporate a diverse set of class information, which in turn boosts an accurate target estimation. Built upon this foundation, we further design a novel layer-wise rectification strategy to consistently promote test-time performance. Our proposed method enjoys a unique advantage as it requires neither training nor tuning parameters, offering a truly hassle-free solution. It significantly enhances model robustness against shifted domains and maintains resilience in diverse real-world scenarios with various batch sizes, achieving state-of-the-art performance on several major benchmarks. Code is available at \url{https://github.com/kiwi12138/RealisticTTA}.  ( 2 min )

Moore Law states that transistor density will double every two years, which is sustained until today due to continuous multi-directional innovations, such as extreme ultraviolet lithography, novel patterning techniques etc., leading the semiconductor industry towards 3nm node and beyond. For any patterning scheme, the most important metric to evaluate the quality of printed patterns is EPE, with overlay being its largest contribution. Overlay errors can lead to fatal failures of IC devices such as short circuits or broken connections in terms of P2P electrical contacts. Therefore, it is essential to develop effective overlay analysis and control techniques to ensure good functionality of fabricated semiconductor devices. In this work we have used an imec N14 BEOL process flow using LELE patterning technique to print metal layers with minimum pitch of 48nm with 193i lithography. FF structures are decomposed into two mask layers (M1A and M1B) and then the LELE flow is carried out to make the final patterns. Since a single M1 layer is decomposed into two masks, control of overlay between the two masks is critical. The goal of this work is of two-fold as, (a) to quantify the impact of overlay on capacitance and (b) to see if we can predict the final capacitance measurements with selected machine learning models at an early stage. To do so, scatterometry spectra are collected on these electrical test structures at (a)post litho, (b)post TiN hardmask etch, and (c)post Cu plating and CMP. Critical Dimension and overlay measurements for line-space pattern are done with SEM post litho, post etch and post Cu CMP. Various machine learning models are applied to do the capacitance prediction with multiple metrology inputs at different steps of wafer processing. Finally, we demonstrate that by using appropriate machine learning models we are able to do better prediction of electrical results.  ( 3 min )

Uncertainty Quantification (UQ) has gained traction in an attempt to fix the black-box nature of Deep Learning. Specifically (medical) biosignals such as electroencephalography (EEG), electrocardiography (ECG), electroocculography (EOG) and electromyography (EMG) could benefit from good UQ, since these suffer from a poor signal to noise ratio, and good human interpretability is pivotal for medical applications and Brain Computer Interfaces. In this paper, we review the state of the art at the intersection of Uncertainty Quantification and Biosignal with Machine Learning. We present various methods, shortcomings, uncertainty measures and theoretical frameworks that currently exist in this application domain. Overall it can be concluded that promising UQ methods are available, but that research is needed on how people and systems may interact with an uncertainty model in a (clinical) environment.  ( 2 min )

In response to the rapidly evolving nature of adversarial attacks on a monthly basis, numerous defenses have been proposed to generalize against as many known attacks as possible. However, designing a defense method that can generalize to all types of attacks, including unseen ones, is not realistic because the environment in which defense systems operate is dynamic and comprises various unique attacks used by many attackers. The defense system needs to upgrade itself by utilizing few-shot defense feedback and efficient memory. Therefore, we propose the first continual adversarial defense (CAD) framework that adapts to any attacks in a dynamic scenario, where various attacks emerge stage by stage. In practice, CAD is modeled under four principles: (1) continual adaptation to new attacks without catastrophic forgetting, (2) few-shot adaptation, (3) memory-efficient adaptation, and (4) high accuracy on both clean and adversarial images. We leverage cutting-edge continual learning, few-shot learning, and ensemble learning techniques to qualify the principles. Experiments conducted on CIFAR-10 and ImageNet-100 validate the effectiveness of our approach against multiple stages of 10 modern adversarial attacks and significant improvements over 10 baseline methods. In particular, CAD is capable of quickly adapting with minimal feedback and a low cost of defense failure, while maintaining good performance against old attacks. Our research sheds light on a brand-new paradigm for continual defense adaptation against dynamic and evolving attacks.  ( 2 min )

Graph-based signal processing techniques have become essential for handling data in non-Euclidean spaces. However, there is a growing awareness that these graph models might need to be expanded into `higher-order' domains to effectively represent the complex relations found in high-dimensional data. Such higher-order domains are typically modeled either as hypergraphs, or as simplicial, cubical or other cell complexes. In this context, cell complexes are often seen as a subclass of hypergraphs with additional algebraic structure that can be exploited, e.g., to develop a spectral theory. In this article, we promote an alternative perspective. We argue that hypergraphs and cell complexes emphasize \emph{different} types of relations, which may have different utility depending on the application context. Whereas hypergraphs are effective in modeling set-type, multi-body relations between entities, cell complexes provide an effective means to model hierarchical, interior-to-boundary type relations. We discuss the relative advantages of these two choices and elaborate on the previously introduced concept of a combinatorial complex that enables co-existing set-type and hierarchical relations. Finally, we provide a brief numerical experiment to demonstrate that this modelling flexibility can be advantageous in learning tasks.  ( 2 min )

Graph Structure Learning (GSL) has demonstrated considerable potential in the analysis of graph-unknown non-Euclidean data across a wide range of domains. However, constructing an end-to-end graph structure learning model poses a challenge due to the impediment of gradient flow caused by the nearest neighbor sampling strategy. In this paper, we construct a differential graph structure learning model by replacing the non-differentiable nearest neighbor sampling with a differentiable sampling using the reparameterization trick. Under this framework, we argue that the act of sampling \mbox{nearest} neighbors may not invariably be essential, particularly in instances where node features exhibit a significant degree of similarity. To alleviate this issue, the bell-shaped Gaussian Similarity (GauSim) modeling is proposed to sample non-nearest neighbors. To adaptively model the similarity, we further propose Neural Gaussian Similarity (NeuralGauSim) with learnable parameters featuring flexible sampling behaviors. In addition, we develop a scalable method by transferring the large-scale graph to the transition graph to significantly reduce the complexity. Experimental results demonstrate the effectiveness of the proposed methods.  ( 2 min )

The detection of pilots' mental states is important due to the potential for their abnormal mental states to result in catastrophic accidents. This study introduces the feasibility of employing deep learning techniques to classify different workload levels, specifically normal state, low workload, and high workload. To the best of our knowledge, this study is the first attempt to classify workload levels of pilots. Our approach involves the hybrid deep neural network that consists of five convolutional blocks and one long short-term memory block to extract the significant features from electroencephalography signals. Ten pilots participated in the experiment, which was conducted within the simulated flight environment. In contrast to four conventional models, our proposed model achieved a superior grand--average accuracy of 0.8613, surpassing other conventional models by at least 0.0597 in classifying workload levels across all participants. Our model not only successfully classified workload levels but also provided valuable feedback to the participants. Hence, we anticipate that our study will make the significant contributions to the advancement of autonomous flight and driving leveraging artificial intelligence technology in the future.  ( 2 min )

Electrocardiograms (ECGs), a medical monitoring technology recording cardiac activity, are widely used for diagnosing cardiac arrhythmia. The diagnosis is based on the analysis of the deformation of the signal shapes due to irregular heart rates associated with heart diseases. Due to the infeasibility of manual examination of large volumes of ECG data, this paper aims to propose an automated AI based system for ECG-based arrhythmia classification. To this front, a deep learning based solution has been proposed for ECG-based arrhythmia classification. Twelve lead electrocardiograms (ECG) of length 10 sec from 45, 152 individuals from Shaoxing People's Hospital (SPH) dataset from PhysioNet with four different types of arrhythmias were used. The sampling frequency utilized was 500 Hz. Median filtering was used to preprocess the ECG signals. For every 1 sec of ECG signal, the time-frequency (TF) scalogram was estimated and stacked row wise to obtain a single image from 12 channels, resulting in 10 stacked TF scalograms for each ECG signal. These stacked TF scalograms are fed to the pretrained convolutional neural network (CNN), 1D CNN, and 1D CNN-LSTM (Long short-term memory) models, for arrhythmia classification. The fine-tuned CNN models obtained the best test accuracy of about 98% followed by 95% test accuracy by basic CNN-LSTM in arrhythmia classification.  ( 3 min )

Compressing a predefined deep neural network (DNN) into a compact sub-network with competitive performance is crucial in the efficient machine learning realm. This topic spans various techniques, from structured pruning to neural architecture search, encompassing both pruning and erasing operators perspectives. Despite advancements, existing methods suffers from complex, multi-stage processes that demand substantial engineering and domain knowledge, limiting their broader applications. We introduce the third-generation Only-Train-Once (OTOv3), which first automatically trains and compresses a general DNN through pruning and erasing operations, creating a compact and competitive sub-network without the need of fine-tuning. OTOv3 simplifies and automates the training and compression process, minimizes the engineering efforts required from users. It offers key technological advancements: (i) automatic search space construction for general DNNs based on dependency graph analysis; (ii) Dual Half-Space Projected Gradient (DHSPG) and its enhanced version with hierarchical search (H2SPG) to reliably solve (hierarchical) structured sparsity problems and ensure sub-network validity; and (iii) automated sub-network construction using solutions from DHSPG/H2SPG and dependency graphs. Our empirical results demonstrate the efficacy of OTOv3 across various benchmarks in structured pruning and neural architecture search. OTOv3 produces sub-networks that match or exceed the state-of-the-arts. The source code will be available at https://github.com/tianyic/only_train_once.  ( 3 min )

Direct observations of earthquake nucleation and propagation are few and yet the next decade will likely see an unprecedented increase in indirect, surface observations that must be integrated into modeling efforts. Machine learning (ML) excels in the presence of large data and is an actively growing field in seismology. However, not all ML methods incorporate rigorous physics, and purely data-driven models can predict physically unrealistic outcomes due to observational bias or extrapolation. Our work focuses on the recently emergent Physics-Informed Neural Network (PINN), which seamlessly integrates data while ensuring that model outcomes satisfy rigorous physical constraints. In this work we develop a multi-network PINN for both the forward problem as well as for direct inversion of nonlinear fault friction parameters, constrained by the physics of motion in the solid Earth, which have direct implications for assessing seismic hazard. We present the computational PINN framework for strike-slip faults in 1D and 2D subject to rate-and-state friction. Initial and boundary conditions define the data on which the PINN is trained. While the PINN is capable of approximating the solution to the governing equations to low-errors, our primary interest lies in the network's capacity to infer friction parameters during the training loop. We find that the network for the parameter inversion at the fault performs much better than the network for material displacements to which it is coupled. Additional training iterations and model tuning resolves this discrepancy, enabling a robust surrogate model for solving both forward and inverse problems relevant to seismic faulting.  ( 3 min )

The recent development of connected and automated vehicle (CAV) technologies has spurred investigations to optimize dense urban traffic. This paper considers advisory autonomy, in which real-time driving advisories are issued to drivers, thus blending the CAV and the human driver. Due to the complexity of traffic systems, recent studies of coordinating CAVs have resorted to leveraging deep reinforcement learning (RL). Advisory autonomy is formalized as zero-order holds, and we consider a range of hold duration from 0.1 to 40 seconds. However, despite the similarity of the higher frequency tasks on CAVs, a direct application of deep RL fails to be generalized to advisory autonomy tasks. We introduce Temporal Transfer Learning (TTL) algorithms to select source tasks, systematically leveraging the temporal structure to solve the full range of tasks. TTL selects the most suitable source tasks to maximize the performance of the range of tasks. We validate our algorithms on diverse mixed-traffic scenarios, demonstrating that TTL more reliably solves the tasks than baselines. This paper underscores the potential of coarse-grained advisory autonomy with TTL in traffic flow optimization.  ( 2 min )

Previous research has demonstrated the potential of using pre-trained language models for decoding open vocabulary Electroencephalography (EEG) signals captured through a non-invasive Brain-Computer Interface (BCI). However, the impact of embedding EEG signals in the context of language models and the effect of subjectivity, remain unexplored, leading to uncertainty about the best approach to enhance decoding performance. Additionally, current evaluation metrics used to assess decoding effectiveness are predominantly syntactic and do not provide insights into the comprehensibility of the decoded output for human understanding. We present an end-to-end deep learning framework for non-invasive brain recordings that brings modern representational learning approaches to neuroscience. Our proposal introduces the following innovations: 1) an end-to-end deep learning architecture for open vocabulary EEG decoding, incorporating a subject-dependent representation learning module for raw EEG encoding, a BART language model, and a GPT-4 sentence refinement module; 2) a more comprehensive sentence-level evaluation metric based on the BERTScore; 3) an ablation study that analyses the contributions of each module within our proposal, providing valuable insights for future research. We evaluate our approach on two publicly available datasets, ZuCo v1.0 and v2.0, comprising EEG recordings of 30 subjects engaged in natural reading tasks. Our model achieves a BLEU-1 score of 42.75%, a ROUGE-1-F of 33.28%, and a BERTScore-F of 53.86%, outperforming the previous state-of-the-art methods by 3.38%, 8.43%, and 6.31%, respectively.  ( 2 min )

In this study, we present a deep learning framework designed to integrate with our previously developed system that facilitates large-scale 1D fetal Doppler data collection, aiming to enhance data quality. This system, tailored for traditional Indigenous midwives in low-resource communities, leverages a cost-effective Android phone to improve the quality of recorded signals. We have shown that the Doppler data can be used to identify fetal growth restriction, hypertension, and other concerning issues during pregnancy. However, the quality of the signal is dependent on many factors, including radio frequency interference, position of the fetus, maternal body habitus, and usage of the Doppler by the birth attendants. In order to provide instant feedback to allow correction of the data at source, a signal quality metric is required that can run in real-time on the mobile phone. In this study, 191 DUS signals with durations mainly in the range between 5 to 10 minutes were evaluated for quality and classified into five categories: Good, Poor, (Radiofrequency) Interference, Talking, and Silent, at a resolution of 3.75 seconds. A deep neural network was trained on each 3.75-second segment from these recordings and validated using five-fold cross-validation. An average micro F1 = 97.4\% and macro F1 = 94.2\% were achieved, with F1 = 99.2\% for `Good' quality data. These results indicate that the algorithm, which will now be implemented in the midwives' app, should allow a significant increase in the quality of data at the time of capture.  ( 3 min )

In this research, we present an innovative method known as a physics-informed neural network (PINN) model to predict multi-joint kinematics using electromyography (EMG) signals recorded from the muscles surrounding these joints across various loads. The primary aim is to simultaneously predict both the shoulder and elbow joint angles while executing elbow flexion-extension (FE) movements, especially under varying load conditions. The PINN model is constructed by combining a feed-forward Artificial Neural Network (ANN) with a joint torque computation model. During the training process, the model utilizes a custom loss function derived from an inverse dynamics joint torque musculoskeletal model, along with a mean square angle loss. The training dataset for the PINN model comprises EMG and time data collected from four different subjects. To assess the model's performance, we conducted a comparison between the predicted joint angles and experimental data using a testing data set. The results demonstrated strong correlations of 58% to 83% in joint angle prediction. The findings highlight the potential of incorporating physical principles into the model, not only increasing its versatility but also enhancing its accuracy. The findings could have significant implications for the precise estimation of multi-joint kinematics in dynamic scenarios, particularly concerning the advancement of human-machine interfaces (HMIs) for exoskeletons and prosthetic control systems.  ( 3 min )

In this study, we propose an approach for predicting rare events by exploiting time series in coevolution. Our approach involves a weighted autologistic regression model, where we leverage the temporal behavior of the data to enhance predictive capabilities. By addressing the issue of imbalanced datasets, we establish constraints leading to weight estimation and to improved performance. Evaluation on synthetic and real-world datasets confirms that our approach outperform state-of-the-art of predicting home equipment failure methods.  ( 2 min )

Electroencephalography (EEG) signals are easily corrupted by various artifacts, making artifact removal crucial for improving signal quality in scenarios such as disease diagnosis and brain-computer interface (BCI). In this paper, we present a fully convolutional neural architecture, called DTP-Net, which consists of a Densely Connected Temporal Pyramid (DTP) sandwiched between a pair of learnable time-frequency transformations for end-to-end electroencephalogram (EEG) denoising. The proposed method first transforms a single-channel EEG signal of arbitrary length into the time-frequency domain via an Encoder layer. Then, noises, such as ocular and muscle artifacts, are extracted by DTP in a multi-scale fashion and reduced. Finally, a Decoder layer is employed to reconstruct the artifact-reduced EEG signal. Additionally, we conduct an in-depth analysis of the representation learning behavior of each module in DTP-Net to substantiate its robustness and reliability. Extensive experiments conducted on two public semi-simulated datasets demonstrate the effective artifact removal performance of DTP-Net, which outperforms state-of-art approaches. Experimental results demonstrate cleaner waveforms and significant improvement in Signal-to-Noise Ratio (SNR) and Relative Root Mean Square Error (RRMSE) after denoised by the proposed model. Moreover, the proposed DTP-Net is applied in a specific BCI downstream task, improving the classification accuracy by up to 5.55% compared to that of the raw signals, validating its potential applications in the fields of EEG-based neuroscience and neuro-engineering.  ( 3 min )

This study introduces an innovative 3D printed dry electrode tailored for biosensing in postoperative recovery scenarios. Fabricated through a drop coating process, the electrode incorporates a novel 2D material.  ( 2 min )

The joint alignment of multivariate functional data plays an important role in various fields such as signal processing, neuroscience and medicine, including the statistical analysis of data from wearable devices. Traditional methods often ignore the phase variability and instead focus on the variability in the observed amplitude. We present a novel method for joint alignment of multivariate quasi-periodic functions using deep neural networks, decomposing, but retaining all the information in the data by preserving both phase and amplitude variability. Our proposed neural network uses a special activation of the output that builds on the unit simplex transformation, and we utilize a loss function based on the Fisher-Rao metric to train our model. Furthermore, our method is unsupervised and can provide an optimal common template function as well as subject-specific templates. We demonstrate our method on two simulated datasets and one real example, comprising data from 12-lead 10s electrocardiogram recordings.  ( 3 min )

Biased enhanced sampling methods utilizing collective variables (CVs) are powerful tools for sampling conformational ensembles. Due to high intrinsic dimensions, efficiently generating conformational ensembles for complex systems requires enhanced sampling on high-dimensional free energy surfaces. While methods like temperature-accelerated molecular dynamics (TAMD) can adopt many CVs in a simulation, unbiasing the simulation requires accurate modeling of a high-dimensional CV probability distribution, which is challenging for traditional density estimation techniques. Here we propose an unbiasing method based on the score-based diffusion model, a deep generative learning method that excels in density estimation across complex data landscapes. We test the score-based diffusion unbiasing method on TAMD simulations. The results demonstrate that this unbiasing approach significantly outperforms traditional unbiasing methods, and can generate accurate unbiased conformational ensembles for simulations with a number of CVs higher than usual ranges.  ( 2 min )

Recurrent Neural Networks (RNNs) are useful in temporal sequence tasks. However, training RNNs involves dense matrix multiplications which require hardware that can support a large number of arithmetic operations and memory accesses. Implementing online training of RNNs on the edge calls for optimized algorithms for an efficient deployment on hardware. Inspired by the spiking neuron model, the Delta RNN exploits temporal sparsity during inference by skipping over the update of hidden states from those inactivated neurons whose change of activation across two timesteps is below a defined threshold. This work describes a training algorithm for Delta RNNs that exploits temporal sparsity in the backward propagation phase to reduce computational requirements for training on the edge. Due to the symmetric computation graphs of forward and backward propagation during training, the gradient computation of inactivated neurons can be skipped. Results show a reduction of $\sim$80% in matrix operations for training a 56k parameter Delta LSTM on the Fluent Speech Commands dataset with negligible accuracy loss. Logic simulations of a hardware accelerator designed for the training algorithm show 2-10X speedup in matrix computations for an activation sparsity range of 50%-90%. Additionally, we show that the proposed Delta RNN training will be useful for online incremental learning on edge devices with limited computing resources.  ( 3 min )

Leveraging the potential of Virtualised Network Functions (VNFs) requires a clear understanding of the link between resource consumption and performance. The current state of the art tries to do that by utilising Machine Learning (ML) and specifically Supervised Learning (SL) models for given network environments and VNF types assuming single-objective optimisation targets. Taking a different approach poses a novel VNF profiler optimising multi-resource type allocation and performance objectives using adapted Reinforcement Learning (RL). Our approach can meet Key Performance Indicator (KPI) targets while minimising multi-resource type consumption and optimising the VNF output rate compared to existing single-objective solutions. Our experimental evaluation with three real-world VNF types over a total of 39 study scenarios (13 per VNF), for three resource types (virtual CPU, memory, and network link capacity), verifies the accuracy of resource allocation predictions and corresponding successful profiling decisions via a benchmark comparison between our RL model and SL models. We also conduct a complementary exhaustive search-space study revealing that different resources impact performance in varying ways per VNF type, implying the necessity of multi-objective optimisation, individualised examination per VNF type, and adaptable online profile learning, such as with the autonomous online learning approach of iOn-Profiler.  ( 3 min )

Catastrophic forgetting(CF) is a significant challenge in continual learning (CL). In regularization-based approaches to mitigate CF, modifications to important training parameters are penalized in subsequent tasks using an appropriate loss function. We propose the RTRA, a modification to the widely used Elastic Weight Consolidation (EWC) regularization scheme, using the Natural Gradient for loss function optimization. Our approach improves the training of regularization-based methods without sacrificing test-data performance. We compare the proposed RTRA approach against EWC using the iFood251 dataset. We show that RTRA has a clear edge over the state-of-the-art approaches.  ( 2 min )

Rehearsal-based techniques are commonly used to mitigate catastrophic forgetting (CF) in Incremental learning (IL). The quality of the exemplars selected is important for this purpose and most methods do not ensure the appropriate diversity of the selected exemplars. We propose a new technique "DSS" -- Diverse Selection of Samples from the input data stream in the Class-incremental learning (CIL) setup under both disjoint and fuzzy task boundary scenarios. Our method outperforms state-of-the-art methods and is much simpler to understand and implement.  ( 2 min )

We propose a novel exemplar selection approach based on Principal Component Analysis (PCA) and median sampling, and a neural network training regime in the setting of class-incremental learning. This approach avoids the pitfalls due to outliers in the data and is both simple to implement and use across various incremental machine learning models. It also has independent usage as a sampling algorithm. We achieve better performance compared to state-of-the-art methods.  ( 2 min )

Visual sensors, including 3D LiDAR, neuromorphic DVS sensors, and conventional frame cameras, are increasingly integrated into edge-side intelligent machines. Realizing intensive multi-sensory data analysis directly on edge intelligent machines is crucial for numerous emerging edge applications, such as augmented and virtual reality and unmanned aerial vehicles, which necessitates unified data representation, unprecedented hardware energy efficiency and rapid model training. However, multi-sensory data are intrinsically heterogeneous, causing significant complexity in the system development for edge-side intelligent machines. In addition, the performance of conventional digital hardware is limited by the physically separated processing and memory units, known as the von Neumann bottleneck, and the physical limit of transistor scaling, which contributes to the slowdown of Moore's law. These limitations are further intensified by the tedious training of models with ever-increasing sizes. We propose a novel hardware-software co-design, random resistive memory-based deep extreme point learning machine (DEPLM), that offers efficient unified point set analysis. We show the system's versatility across various data modalities and two different learning tasks. Compared to a conventional digital hardware-based system, our co-design system achieves huge energy efficiency improvements and training cost reduction when compared to conventional systems. Our random resistive memory-based deep extreme point learning machine may pave the way for energy-efficient and training-friendly edge AI across various data modalities and tasks.  ( 3 min )

An acoustic model, trained on a significant amount of unlabeled data, consists of a self-supervised learned speech representation useful for solving downstream tasks, perhaps after a fine-tuning of the model in the respective downstream task. In this work, we build an acoustic model of Brazilian Portuguese Speech through a Transformer neural network. This model was pretrained on more than $800$ hours of Brazilian Portuguese Speech, using a combination of pretraining techniques. Using a labeled dataset collected for the detection of respiratory insufficiency in Brazilian Portuguese speakers, we fine-tune the pretrained Transformer neural network on the following tasks: respiratory insufficiency detection, gender recognition and age group classification. We compare the performance of pretrained Transformers on these tasks with that of Transformers without previous pretraining, noting a significant improvement. In particular, the performance of respiratory insufficiency detection obtains the best reported results so far, indicating this kind of acoustic model as a promising tool for speech-as-biomarker approach. Moreover, the performance of gender recognition is comparable to the state of the art models in English.  ( 2 min )

Safe deployment of large language models (LLMs) may benefit from a reliable method for assessing their generated content to determine when to abstain or to selectively generate. While likelihood-based metrics such as perplexity are widely employed, recent research has demonstrated the limitations of using sequence-level probability estimates given by LLMs as reliable indicators of generation quality. Conversely, LLMs have demonstrated strong calibration at the token level, particularly when it comes to choosing correct answers in multiple-choice questions or evaluating true/false statements. In this work, we reformulate open-ended generation tasks into token-level prediction tasks, and leverage LLMs' superior calibration at the token level. We instruct an LLM to self-evaluate its answers, employing either a multi-way comparison or a point-wise evaluation approach, with the option to include a ``None of the above'' option to express the model's uncertainty explicitly. We benchmark a range of scoring methods based on self-evaluation and evaluate their performance in selective generation using TruthfulQA and TL;DR. Through experiments with PaLM-2 and GPT-3, we demonstrate that self-evaluation based scores not only improve accuracy, but also correlate better with the overall quality of generated content.  ( 2 min )

The goal of this series is to chronicle opinions and issues in the field of machine learning as they stand today and as they change over time. The plan is to host this survey periodically until the AI singularity paperclip-frenzy-driven doomsday, keeping an updated list of topical questions and interviewing new community members for each edition. In this issue, we probed people's opinions on interpretable AI, the value of benchmarking in modern NLP, the state of progress towards understanding deep learning, and the future of academia.  ( 2 min )

Livestock feeding behavior is an influential research area for those involved in animal husbandry and agriculture. In recent years, there has been a growing interest in automated systems for monitoring the behavior of ruminants. Despite the developments accomplished in the last decade, there is still much to do and learn about the methods for measuring and analyzing livestock feeding behavior. Automated monitoring systems mainly use motion, acoustic, and image sensors to collect animal behavioral data. The performance evaluation of existing methods is a complex task and direct comparisons between studies are difficult. Several factors prevent a direct comparison, starting from the diversity of data and performance metrics used in the experiments. To the best of our knowledge, this work represents the first tutorial-style review on the analysis of the feeding behavior of ruminants, emphasizing the relationship between sensing methodologies, signal processing and computational intelligence methods. It assesses the main sensing methodologies (i.e. based on movement, sound, images/videos and pressure) and the main techniques to measure and analyze the signals associated with feeding behavior, evaluating their use in different settings and situations. It also highlights the potentiality of automated monitoring systems to provide valuable information that improves our understanding of livestock feeding behavior. The relevance of these systems is increasingly important due to their impact on production systems and research. Finally, the paper closes by discussing future challenges and opportunities in livestock feeding behavior monitoring.  ( 3 min )

In this survey, we examine algorithms for conducting credit assignment in artificial neural networks that are inspired or motivated by neurobiology, unifying these various processes under one possible taxonomy. Our proposed taxonomy is constructed based on how a learning algorithm answers a central question underpinning the mechanisms of synaptic plasticity in complex adaptive neuronal systems: where do the signals that drive the learning in individual elements of a network come from and how are they produced? In this unified treatment, we organize the ever-growing set of brain-inspired learning processes into six general families and consider these in the context of backpropagation of errors and its known criticisms. The results of this review are meant to encourage future developments in neuro-mimetic systems and their constituent learning processes, wherein lies the opportunity to build a strong bridge between machine learning, computational neuroscience, and cognitive science.  ( 2 min )

The ongoing biodiversity crisis, driven by factors such as land-use change and global warming, emphasizes the need for effective ecological monitoring methods. Acoustic monitoring of biodiversity has emerged as an important monitoring tool. Detecting human voices in soundscape monitoring projects is useful both for analysing human disturbance and for privacy filtering. Despite significant strides in deep learning in recent years, the deployment of large neural networks on compact devices poses challenges due to memory and latency constraints. Our approach focuses on leveraging knowledge distillation techniques to design efficient, lightweight student models for speech detection in bioacoustics. In particular, we employed the MobileNetV3-Small-Pi model to create compact yet effective student architectures to compare against the larger EcoVAD teacher model, a well-regarded voice detection architecture in eco-acoustic monitoring. The comparative analysis included examining various configurations of the MobileNetV3-Small-Pi derived student models to identify optimal performance. Additionally, a thorough evaluation of different distillation techniques was conducted to ascertain the most effective method for model selection. Our findings revealed that the distilled models exhibited comparable performance to the EcoVAD teacher model, indicating a promising approach to overcoming computational barriers for real-time ecological monitoring.  ( 2 min )

Training large transformer models from scratch for a target task requires lots of data and is computationally demanding. The usual practice of transfer learning overcomes this challenge by initializing the model with weights of a pretrained model of the same size and specification to increase the convergence and training speed. However, what if no pretrained model of the required size is available? In this paper, we introduce a simple yet effective technique to transfer the knowledge of a pretrained model to smaller variants. Our approach called weight subcloning expedites the training of scaled-down transformers by initializing their weights from larger pretrained models. Weight subcloning involves an operation on the pretrained model to obtain the equivalent initialized scaled-down model. It consists of two key steps: first, we introduce neuron importance ranking to decrease the embedding dimension per layer in the pretrained model. Then, we remove blocks from the transformer model to match the number of layers in the scaled-down network. The result is a network ready to undergo training, which gains significant improvements in training speed compared to random initialization. For instance, we achieve 4x faster training for vision transformers in image classification and language models designed for next token prediction.  ( 2 min )

In this paper we consider the adversarial contextual bandit problem in metric spaces. The paper "Nearest neighbour with bandit feedback" tackled this problem but when there are many contexts near the decision boundary of the comparator policy it suffers from a high regret. In this paper we eradicate this problem, designing an algorithm in which we can hold out any set of contexts when computing our regret term. Our algorithm builds on that of "Nearest neighbour with bandit feedback" and hence inherits its extreme computational efficiency.  ( 2 min )

We extend our previous work on Inductive Conformal Prediction (ICP) for multi-label text classification and present a novel approach for addressing the computational inefficiency of the Label Powerset (LP) ICP, arrising when dealing with a high number of unique labels. We present experimental results using the original and the proposed efficient LP-ICP on two English and one Czech language data-sets. Specifically, we apply the LP-ICP on three deep Artificial Neural Network (ANN) classifiers of two types: one based on contextualised (bert) and two on non-contextualised (word2vec) word-embeddings. In the LP-ICP setting we assign nonconformity scores to label-sets from which the corresponding p-values and prediction-sets are determined. Our approach deals with the increased computational burden of LP by eliminating from consideration a significant number of label-sets that will surely have p-values below the specified significance level. This reduces dramatically the computational complexity of the approach while fully respecting the standard CP guarantees. Our experimental results show that the contextualised-based classifier surpasses the non-contextualised-based ones and obtains state-of-the-art performance for all data-sets examined. The good performance of the underlying classifiers is carried on to their ICP counterparts without any significant accuracy loss, but with the added benefits of ICP, i.e. the confidence information encapsulated in the prediction sets. We experimentally demonstrate that the resulting prediction sets can be tight enough to be practically useful even though the set of all possible label-sets contains more than $1e+16$ combinations. Additionally, the empirical error rates of the obtained prediction-sets confirm that our outputs are well-calibrated.  ( 3 min )

Generative models inspired by dynamical transport of measure -- such as flows and diffusions -- construct a continuous-time map between two probability densities. Conventionally, one of these is the target density, only accessible through samples, while the other is taken as a simple base density that is data-agnostic. In this work, using the framework of stochastic interpolants, we formalize how to \textit{couple} the base and the target densities, whereby samples from the base are computed conditionally given samples from the target in a way that is different from (but does preclude) incorporating information about class labels or continuous embeddings. This enables us to construct dynamical transport maps that serve as conditional generative models. We show that these transport maps can be learned by solving a simple square loss regression problem analogous to the standard independent setting. We demonstrate the usefulness of constructing dependent couplings in practice through experiments in super-resolution and in-painting.  ( 2 min )

In this paper, we consider variational autoencoders (VAE) for general state space models. We consider a backward factorization of the variational distributions to analyze the excess risk associated with VAE. Such backward factorizations were recently proposed to perform online variational learning and to obtain upper bounds on the variational estimation error. When independent trajectories of sequences are observed and under strong mixing assumptions on the state space model and on the variational distribution, we provide an oracle inequality explicit in the number of samples and in the length of the observation sequences. We then derive consequences of this theoretical result. In particular, when the data distribution is given by a state space model, we provide an upper bound for the Kullback-Leibler divergence between the data distribution and its estimator and between the variational posterior and the estimated state space posterior distributions.Under classical assumptions, we prove that our results can be applied to Gaussian backward kernels built with dense and recurrent neural networks.  ( 2 min )

Statistical mechanics of spin glasses is one of the main strands toward a comprehension of information processing by neural networks and learning machines. Tackling this approach, at the fairly standard replica symmetric level of description, recently Hebbian attractor networks with multi-node interactions (often called Dense Associative Memories) have been shown to outperform their classical pairwise counterparts in a number of tasks, from their robustness against adversarial attacks and their capability to work with prohibitively weak signals to their supra-linear storage capacities. Focusing on mathematical techniques more than computational aspects, in this paper we relax the replica symmetric assumption and we derive the one-step broken-replica-symmetry picture of supervised and unsupervised learning protocols for these Dense Associative Memories: a phase diagram in the space of the control parameters is achieved, independently, both via the Parisi's hierarchy within then replica trick as well as via the Guerra's telescope within the broken-replica interpolation. Further, an explicit analytical investigation is provided to deepen both the big-data and ground state limits of these networks as well as a proof that replica symmetry breaking does not alter the thresholds for learning and slightly increases the maximal storage capacity. Finally the De Almeida and Thouless line, depicting the onset of instability of a replica symmetric description, is also analytically derived highlighting how, crossed this boundary, the broken replica description should be preferred.  ( 3 min )

Theoretical guarantees in reinforcement learning (RL) are known to suffer multiplicative blow-up factors with respect to the misspecification error of function approximation. Yet, the nature of such \emph{approximation factors} -- especially their optimal form in a given learning problem -- is poorly understood. In this paper we study this question in linear off-policy value function estimation, where many open questions remain. We study the approximation factor in a broad spectrum of settings, such as with the weighted $L_2$-norm (where the weighting is the offline state distribution), the $L_\infty$ norm, the presence vs. absence of state aliasing, and full vs. partial coverage of the state space. We establish the optimal asymptotic approximation factors (up to constants) for all of these settings. In particular, our bounds identify two instance-dependent factors for the $L_2(\mu)$ norm and only one for the $L_\infty$ norm, which are shown to dictate the hardness of off-policy evaluation under misspecification.  ( 2 min )

Many recent theoretical works on \emph{meta-learning} aim to achieve guarantees in leveraging similar representational structures from related tasks towards simplifying a target task. Importantly, the main aim in theory works on the subject is to understand the extent to which convergence rates -- in learning a common representation -- \emph{may scale with the number $N$ of tasks} (as well as the number of samples per task). First steps in this setting demonstrate this property when both the shared representation amongst tasks, and task-specific regression functions, are linear. This linear setting readily reveals the benefits of aggregating tasks, e.g., via averaging arguments. In practice, however, the representation is often highly nonlinear, introducing nontrivial biases in each task that cannot easily be averaged out as in the linear case. In the present work, we derive theoretical guarantees for meta-learning with nonlinear representations. In particular, assuming the shared nonlinearity maps to an infinite-dimensional RKHS, we show that additional biases can be mitigated with careful regularization that leverages the smoothness of task-specific regression functions,  ( 2 min )

The debiased estimator is a crucial tool in statistical inference for high-dimensional model parameters. However, constructing such an estimator involves estimating the high-dimensional inverse Hessian matrix, incurring significant computational costs. This challenge becomes particularly acute in distributed setups, where traditional methods necessitate computing a debiased estimator on every machine. This becomes unwieldy, especially with a large number of machines. In this paper, we delve into semi-supervised sparse statistical inference in a distributed setup. An efficient multi-round distributed debiased estimator, which integrates both labeled and unlabelled data, is developed. We will show that the additional unlabeled data helps to improve the statistical rate of each round of iteration. Our approach offers tailored debiasing methods for $M$-estimation and generalized linear models according to the specific form of the loss function. Our method also applies to a non-smooth loss like absolute deviation loss. Furthermore, our algorithm is computationally efficient since it requires only one estimation of a high-dimensional inverse covariance matrix. We demonstrate the effectiveness of our method by presenting simulation studies and real data applications that highlight the benefits of incorporating unlabeled data.  ( 2 min )

Krylov subspace, which is generated by multiplying a given vector by the matrix of a linear transformation and its successive powers, has been extensively studied in classical optimization literature to design algorithms that converge quickly for large linear inverse problems. For example, the conjugate gradient method (CG), one of the most popular Krylov subspace methods, is based on the idea of minimizing the residual error in the Krylov subspace. However, with the recent advancement of high-performance diffusion solvers for inverse problems, it is not clear how classical wisdom can be synergistically combined with modern diffusion models. In this study, we propose a novel and efficient diffusion sampling strategy that synergistically combine the diffusion sampling and Krylov subspace methods. Specifically, we prove that if the tangent space at a denoised sample by Tweedie's formula forms a Krylov subspace, then the CG initialized with the denoised data ensures the data consistency update to remain in the tangent space. This negates the need to compute the manifold-constrained gradient (MCG), leading to a more efficient diffusion sampling method. Our method is applicable regardless of the parametrization and setting (i.e., VE, VP). Notably, we achieve state-of-the-art reconstruction quality on challenging real-world medical inverse imaging problems, including multi-coil MRI reconstruction and 3D CT reconstruction. Moreover, our proposed method achieves more than 80 times faster inference time than the previous state-of-the-art method.  ( 3 min )

Machine-Learned Likelihoods (MLL) combines machine-learning classification techniques with likelihood-based inference tests to estimate the experimental sensitivity of high-dimensional data sets. We extend the MLL method by including Kernel Density Estimators (KDE) to avoid binning the classifier output to extract the resulting one-dimensional signal and background probability density functions. We first test our method on toy models generated with multivariate Gaussian distributions, where the true probability distribution functions are known. Later, we apply the method to two cases of interest at the LHC: a search for exotic Higgs bosons, and a $Z'$ boson decaying into lepton pairs. In contrast to physical-based quantities, the typical fluctuations of the ML outputs give non-smooth probability distributions for pure-signal and pure-background samples. The non-smoothness is propagated into the density estimation due to the good performance and flexibility of the KDE method. We study its impact on the final significance computation, and we compare the results using the average of several independent ML output realizations, which allows us to obtain smoother distributions. We conclude that the significance estimation turns out to be not sensible to this issue.  ( 3 min )

This paper studies the problem of forecasting general stochastic processes using a path-dependent extension of the Neural Jump ODE (NJ-ODE) framework \citep{herrera2021neural}. While NJ-ODE was the first framework to establish convergence guarantees for the prediction of irregularly observed time series, these results were limited to data stemming from It\^o-diffusions with complete observations, in particular Markov processes, where all coordinates are observed simultaneously. In this work, we generalise these results to generic, possibly non-Markovian or discontinuous, stochastic processes with incomplete observations, by utilising the reconstruction properties of the signature transform. These theoretical results are supported by empirical studies, where it is shown that the path-dependent NJ-ODE outperforms the original NJ-ODE framework in the case of non-Markovian data. Moreover, we show that PD-NJ-ODE can be applied successfully to classical stochastic filtering problems and to limit order book (LOB) data.  ( 2 min )

Latent variable models (LVMs) represent observed variables by parameterized functions of latent variables. Prominent examples of LVMs for unsupervised learning are probabilistic PCA or probabilistic SC which both assume a weighted linear summation of the latents to determine the mean of a Gaussian distribution for the observables. In many cases, however, observables do not follow a Gaussian distribution. For unsupervised learning, LVMs which assume specific non-Gaussian observables have therefore been considered. Already for specific choices of distributions, parameter optimization is challenging and only a few previous contributions considered LVMs with more generally defined observable distributions. Here, we consider LVMs that are defined for a range of different distributions, i.e., observables can follow any (regular) distribution of the exponential family. The novel class of LVMs presented is defined for binary latents, and it uses maximization in place of summation to link the latents to observables. To derive an optimization procedure, we follow an EM approach for maximum likelihood parameter estimation. We show that a set of very concise parameter update equations can be derived which feature the same functional form for all exponential family distributions. The derived generic optimization can consequently be applied to different types of metric data as well as to different types of discrete data. Also, the derived optimization equations can be combined with a recently suggested variational acceleration which is likewise generically applicable to the LVMs considered here. So, the combination maintains generic and direct applicability of the derived optimization procedure, but, crucially, enables efficient scalability. We numerically verify our analytical results and discuss some potential applications such as learning of variance structure, noise type estimation and denoising.  ( 3 min )

We present a numerical method to learn an accurate predictive model for an unknown stochastic dynamical system from its trajectory data. The method seeks to approximate the unknown flow map of the underlying system. It employs the idea of autoencoder to identify the unobserved latent random variables. In our approach, we design an encoding function to discover the latent variables, which are modeled as unit Gaussian, and a decoding function to reconstruct the future states of the system. Both the encoder and decoder are expressed as deep neural networks (DNNs). Once the DNNs are trained by the trajectory data, the decoder serves as a predictive model for the unknown stochastic system. Through an extensive set of numerical examples, we demonstrate that the method is able to produce long-term system predictions by using short bursts of trajectory data. It is also applicable to systems driven by non-Gaussian noises.  ( 2 min )

Many existing covariate shift adaptation methods estimate sample weights to be used in the risk estimation in order to mitigate the gap between the source and the target distribution. However, non-parametrically estimating the optimal weights typically involves computationally expensive hyper-parameter tuning that is crucial to the final performance. In this paper, we propose a new non-parametric approach to covariate shift adaptation which avoids estimating weights and has no hyper-parameter to be tuned. Our basic idea is to label unlabeled target data according to the $k$-nearest neighbors in the source dataset. Our analysis indicates that setting $k = 1$ is an optimal choice. Thanks to this property, there is no need to tune any hyper-parameters, unlike other non-parametric methods. Moreover, our method achieves a running time quasi-linear in the sample size with a theoretical guarantee, for the first time in the literature to the best of our knowledge. Our results include sharp rates of convergence for estimating the joint probability distribution of the target data. In particular, the variance of our estimators has the same rate of convergence as for standard parametric estimation despite their non-parametric nature. Our numerical experiments show that proposed method brings drastic reduction in the running time with accuracy comparable to that of the state-of-the-art methods.  ( 2 min )

Inverse reinforcement learning (IRL) is computationally challenging, with common approaches requiring the solution of multiple reinforcement learning (RL) sub-problems. This work motivates the use of potential-based reward shaping to reduce the computational burden of each RL sub-problem. This work serves as a proof-of-concept and we hope will inspire future developments towards computationally efficient IRL.  ( 2 min )

Recent advances in learning techniques have garnered attention for their applicability to a diverse range of real-world sequential decision-making problems. Yet, many practical applications have critical constraints for operation in real environments. Most learning solutions often neglect the risk of failing to meet these constraints, hindering their implementation in real-world contexts. In this paper, we propose a risk-aware decision-making framework for contextual bandit problems, accommodating constraints and continuous action spaces. Our approach employs an actor multi-critic architecture, with each critic characterizing the distribution of performance and constraint metrics. Our framework is designed to cater to various risk levels, effectively balancing constraint satisfaction against performance. To demonstrate the effectiveness of our approach, we first compare it against state-of-the-art baseline methods in a synthetic environment, highlighting the impact of intrinsic environmental noise across different risk configurations. Finally, we evaluate our framework in a real-world use case involving a 5G mobile network where only our approach consistently satisfies the system constraint (a signal processing reliability target) with a small performance toll (8.5% increase in power consumption).  ( 2 min )

The identification of the Purkinje conduction system in the heart is a challenging task, yet essential for a correct definition of cardiac digital twins for precision cardiology. Here, we propose a probabilistic approach for identifying the Purkinje network from non-invasive clinical data such as the standard electrocardiogram (ECG). We use cardiac imaging to build an anatomically accurate model of the ventricles; we algorithmically generate a rule-based Purkinje network tailored to the anatomy; we simulate physiological electrocardiograms with a fast model; we identify the geometrical and electrical parameters of the Purkinje-ECG model with Bayesian optimization and approximate Bayesian computation. The proposed approach is inherently probabilistic and generates a population of plausible Purkinje networks, all fitting the ECG within a given tolerance. In this way, we can estimate the uncertainty of the parameters, thus providing reliable predictions. We test our methodology in physiological and pathological scenarios, showing that we are able to accurately recover the ECG with our model. We propagate the uncertainty in the Purkinje network parameters in a simulation of conduction system pacing therapy. Our methodology is a step forward in creation of digital twins from non-invasive data in precision medicine. An open source implementation can be found at this http URL  ( 2 min )

Compressive learning is an emerging approach to drastically reduce the memory footprint of large-scale learning, by first summarizing a large dataset into a low-dimensional sketch vector, and then decoding from this sketch the latent information needed for learning. In light of recent progress on information preservation guarantees for sketches based on random features, a major objective is to design easy-to-tune algorithms (called decoders) to robustly and efficiently extract this information. To address the underlying non-convex optimization problems, various heuristics have been proposed. In the case of compressive clustering, the standard heuristic is CL-OMPR, a variant of sliding Frank-Wolfe. Yet, CL-OMPR is hard to tune, and the examination of its robustness was overlooked. In this work, we undertake a scrutinized examination of CL-OMPR to circumvent its limitations. In particular, we show how this algorithm can fail to recover the clusters even in advantageous scenarios. To gain insight, we show how the deficiencies of this algorithm can be attributed to optimization difficulties related to the structure of a correlation function appearing at core steps of the algorithm. To address these limitations, we propose an alternative decoder offering substantial improvements over CL-OMPR. Its design is notably inspired from the mean shift algorithm, a classic approach to detect the local maxima of kernel density estimators. The proposed algorithm can extract clustering information from a sketch of the MNIST dataset that is 10 times smaller than previously.  ( 3 min )

In modern machine learning problems we deal with datasets that are either distributed by nature or potentially large for which distributing the computations is usually a standard way to proceed, since centralized algorithms are in general ineffective. We propose a distributed learning approach for mixtures of experts (MoE) models with an aggregation strategy to construct a reduction estimator from local estimators fitted parallelly to distributed subsets of the data. The aggregation is based on an optimal minimization of an expected transportation divergence between the large MoE composed of local estimators and the unknown desired MoE model. We show that the provided reduction estimator is consistent as soon as the local estimators to be aggregated are consistent, and its construction is performed by a proposed majorization-minimization (MM) algorithm that is computationally effective. We study the statistical and numerical properties for the proposed reduction estimator on experiments that demonstrate its performance compared to namely the global estimator constructed in a centralized way from the full dataset. For some situations, the computation time is more than ten times faster, for a comparable performance. Our source codes are publicly available on Github.  ( 2 min )

Unsupervised Domain Adaptation (UDA) aims to harness labeled source data to train models for unlabeled target data. Despite extensive research in domains like computer vision and natural language processing, UDA remains underexplored for time series data, which has widespread real-world applications ranging from medicine and manufacturing to earth observation and human activity recognition. Our paper addresses this gap by introducing a comprehensive benchmark for evaluating UDA techniques for time series classification, with a focus on deep learning methods. We provide seven new benchmark datasets covering various domain shifts and temporal dynamics, facilitating fair and standardized UDA method assessments with state of the art neural network backbones (e.g. Inception) for time series data. This benchmark offers insights into the strengths and limitations of the evaluated approaches while preserving the unsupervised nature of domain adaptation, making it directly applicable to practical problems. Our paper serves as a vital resource for researchers and practitioners, advancing domain adaptation solutions for time series data and fostering innovation in this critical field. The implementation code of this benchmark is available at https://github.com/EricssonResearch/UDA-4-TSC.  ( 2 min )

Many real world data, particularly in the natural sciences and computer vision, lie on known Riemannian manifolds such as spheres, tori or the group of rotation matrices. The predominant approaches to learning a distribution on such a manifold require solving a differential equation in order to sample from the model and evaluate densities. The resulting sampling times are slowed down by a high number of function evaluations. In this work, we propose an alternative approach which only requires a single function evaluation followed by a projection to the manifold. Training is achieved by an adaptation of the recently proposed free-form flow framework to Riemannian manifolds. The central idea is to estimate the gradient of the negative log-likelihood via a trace evaluated in the tangent space. We evaluate our method on various manifolds, and find significantly faster inference at competitive performance compared to previous work. We make our code public at https://github.com/vislearn/FFF.  ( 2 min )

In this paper, we derive a PAC-Bayes bound on the generalisation gap, in a supervised time-series setting for a special class of discrete-time non-linear dynamical systems. This class includes stable recurrent neural networks (RNN), and the motivation for this work was its application to RNNs. In order to achieve the results, we impose some stability constraints, on the allowed models. Here, stability is understood in the sense of dynamical systems. For RNNs, these stability conditions can be expressed in terms of conditions on the weights. We assume the processes involved are essentially bounded and the loss functions are Lipschitz. The proposed bound on the generalisation gap depends on the mixing coefficient of the data distribution, and the essential supremum of the data. Furthermore, the bound converges to zero as the dataset size increases. In this paper, we 1) formalize the learning problem, 2) derive a PAC-Bayesian error bound for such systems, 3) discuss various consequences of this error bound, and 4) show an illustrative example, with discussions on computing the proposed bound. Unlike other available bounds the derived bound holds for non i.i.d. data (time-series) and it does not grow with the number of steps of the RNN.  ( 2 min )

Federated Learning (FL) involves training a model over a dataset distributed among clients, with the constraint that each client's dataset is localized and possibly heterogeneous. In FL, small and noisy datasets are common, highlighting the need for well-calibrated models that represent the uncertainty of predictions. The closest FL techniques to achieving such goals are the Bayesian FL methods which collect parameter samples from local posteriors, and aggregate them to approximate the global posterior. To improve scalability for larger models, one common Bayesian approach is to approximate the global predictive posterior by multiplying local predictive posteriors. In this work, we demonstrate that this method gives systematically overconfident predictions, and we remedy this by proposing $\beta$-Predictive Bayes, a Bayesian FL algorithm that interpolates between a mixture and product of the predictive posteriors, using a tunable parameter $\beta$. This parameter is tuned to improve the global ensemble's calibration, before it is distilled to a single model. Our method is evaluated on a variety of regression and classification datasets to demonstrate its superiority in calibration to other baselines, even as data heterogeneity increases. Code available at https://github.com/hasanmohsin/betaPredBayes_FL  ( 2 min )

There are increasingly efficient data processing pipelines that work on vectors of numbers, for instance most machine learning models, or vector databases for fast similarity search. These require converting the data to numbers. While this conversion is easy for simple numerical and categorical entries, databases are strife with text entries, such as names or descriptions. In the age of large language models, what's the best strategies to vectorize tables entries, baring in mind that larger models entail more operational complexity? We study the benefits of language models in 14 analytical tasks on tables while varying the training size, as well as for a fuzzy join benchmark. We introduce a simple characterization of a column that reveals two settings: 1) a dirty categories setting, where strings share much similarities across entries, and conversely 2) a diverse entries setting. For dirty categories, pretrained language models bring little-to-no benefit compared to simpler string models. For diverse entries, we show that larger language models improve data processing. For these we investigate the complexity-performance tradeoffs and show that they reflect those of classic text embedding: larger models tend to perform better, but it is useful to fine tune them for embedding purposes.  ( 2 min )

We consider regret minimization in a general collaborative multi-agent multi-armed bandit model, in which each agent faces a finite set of arms and may communicate with other agents through a central controller. The optimal arm for each agent in this model is the arm with the largest expected mixed reward, where the mixed reward of each arm is a weighted average of its rewards across all agents, making communication among agents crucial. While near-optimal sample complexities for best arm identification are known under this collaborative model, the question of optimal regret remains open. In this work, we address this problem and propose the first algorithm with order optimal regret bounds under this collaborative bandit model. Furthermore, we show that only a small constant number of expected communication rounds is needed.  ( 2 min )

Graph Neural Networks (GNNs) demonstrate their significance by effectively modeling complex interrelationships within graph-structured data. To enhance the credibility and robustness of GNNs, it becomes exceptionally crucial to bolster their ability to capture causal relationships. However, despite recent advancements that have indeed strengthened GNNs from a causal learning perspective, conducting an in-depth analysis specifically targeting the causal modeling prowess of GNNs remains an unresolved issue. In order to comprehensively analyze various GNN models from a causal learning perspective, we constructed an artificially synthesized dataset with known and controllable causal relationships between data and labels. The rationality of the generated data is further ensured through theoretical foundations. Drawing insights from analyses conducted using our dataset, we introduce a lightweight and highly adaptable GNN module designed to strengthen GNNs' causal learning capabilities across a diverse range of tasks. Through a series of experiments conducted on both synthetic datasets and other real-world datasets, we empirically validate the effectiveness of the proposed module.  ( 2 min )

This paper proposes an extension to conventional regression Neural Networks (NNs) for replacing the point predictions they produce with prediction intervals that satisfy a required level of confidence. Our approach follows a novel machine learning framework, called Conformal Prediction (CP), for assigning reliable confidence measures to predictions without assuming anything more than that the data are independent and identically distributed (i.i.d.). We evaluate the proposed method on four benchmark datasets and on the problem of predicting Total Electron Content (TEC), which is an important parameter in trans-ionospheric links; for the latter we use a dataset of more than 60000 TEC measurements collected over a period of 11 years. Our experimental results show that the prediction intervals produced by our method are both well-calibrated and tight enough to be useful in practice.  ( 2 min )

We extend our previous work on Inductive Conformal Prediction (ICP) for multi-label text classification and present a novel approach for addressing the computational inefficiency of the Label Powerset (LP) ICP, arrising when dealing with a high number of unique labels. We present experimental results using the original and the proposed efficient LP-ICP on two English and one Czech language data-sets. Specifically, we apply the LP-ICP on three deep Artificial Neural Network (ANN) classifiers of two types: one based on contextualised (bert) and two on non-contextualised (word2vec) word-embeddings. In the LP-ICP setting we assign nonconformity scores to label-sets from which the corresponding p-values and prediction-sets are determined. Our approach deals with the increased computational burden of LP by eliminating from consideration a significant number of label-sets that will surely have p-values below the specified significance level. This reduces dramatically the computational complexity of the approach while fully respecting the standard CP guarantees. Our experimental results show that the contextualised-based classifier surpasses the non-contextualised-based ones and obtains state-of-the-art performance for all data-sets examined. The good performance of the underlying classifiers is carried on to their ICP counterparts without any significant accuracy loss, but with the added benefits of ICP, i.e. the confidence information encapsulated in the prediction sets. We experimentally demonstrate that the resulting prediction sets can be tight enough to be practically useful even though the set of all possible label-sets contains more than $1e+16$ combinations. Additionally, the empirical error rates of the obtained prediction-sets confirm that our outputs are well-calibrated.  ( 3 min )

Modeling and prediction of epidemic spread are critical to assist in policy-making for mitigation. Therefore, we present a new method based on Gaussian Process Regression to model and predict epidemics, and it quantifies prediction confidence through variance and high probability error bounds. Gaussian Process Regression excels in using small datasets and providing uncertainty bounds, and both of these properties are critical in modeling and predicting epidemic spreading processes with limited data. However, the derivation of formal uncertainty bounds remains lacking when using Gaussian Process Regression in the setting of epidemics, which limits its usefulness in guiding mitigation efforts. Therefore, in this work, we develop a novel bound on the variance of the prediction that quantifies the impact of the epidemic data on the predictions we make. Further, we develop a high probability error bound on the prediction, and we quantify how the epidemic spread, the infection data, and the length of the prediction horizon all affect this error bound. We also show that the error stays below a certain threshold based on the length of the prediction horizon. To illustrate this framework, we leverage Gaussian Process Regression to model and predict COVID-19 using real-world infection data from the United Kingdom.  ( 3 min )

Graph-based signal processing techniques have become essential for handling data in non-Euclidean spaces. However, there is a growing awareness that these graph models might need to be expanded into `higher-order' domains to effectively represent the complex relations found in high-dimensional data. Such higher-order domains are typically modeled either as hypergraphs, or as simplicial, cubical or other cell complexes. In this context, cell complexes are often seen as a subclass of hypergraphs with additional algebraic structure that can be exploited, e.g., to develop a spectral theory. In this article, we promote an alternative perspective. We argue that hypergraphs and cell complexes emphasize \emph{different} types of relations, which may have different utility depending on the application context. Whereas hypergraphs are effective in modeling set-type, multi-body relations between entities, cell complexes provide an effective means to model hierarchical, interior-to-boundary type relations. We discuss the relative advantages of these two choices and elaborate on the previously introduced concept of a combinatorial complex that enables co-existing set-type and hierarchical relations. Finally, we provide a brief numerical experiment to demonstrate that this modelling flexibility can be advantageous in learning tasks.  ( 2 min )

In this paper we consider the adversarial contextual bandit problem in metric spaces. The paper "Nearest neighbour with bandit feedback" tackled this problem but when there are many contexts near the decision boundary of the comparator policy it suffers from a high regret. In this paper we eradicate this problem, designing an algorithm in which we can hold out any set of contexts when computing our regret term. Our algorithm builds on that of "Nearest neighbour with bandit feedback" and hence inherits its extreme computational efficiency.  ( 2 min )

There have been claims that artificial intelligence is bringing about increased productivity, accuracy, and a smarter workplace. In all of this excitement, it is difficult to differentiate between fact and fantasy. When it comes to the management of workforces, what is the truth there? Within the context of real-world applications, how much hype is there?… Read More »How can data science and AI help HR in workforce development, evaluation, and retention? The post How can data science and AI help HR in workforce development, evaluation, and retention? appeared first on Data Science Central.  ( 29 min )

Members of the European Parliament and the Council reached provisional agreement on the Artificial Intelligence Act on December 9th, 2023 after years of debate and discussion. The AI Act is broad in scope and is intended to protect public welfare, digital rights, democracy, and the rule of law from the dangers of AI. The Act… Read More »Data management implications of the AI Act The post Data management implications of the AI Act appeared first on Data Science Central.  ( 22 min )

Artificial intelligence (AI) is one of the most transformational technologies of our generation and provides opportunities to be a force for good and drive economic growth. The growth of large language models (LLMs), with hundreds of billions of parameters, has unlocked new generative AI use cases to improve customer experiences, boost employee productivity, and so […]  ( 4 min )

This is a guest post co-written with Babu Srinivasan from MongoDB. As industries evolve in today’s fast-paced business landscape, the inability to have real-time forecasts poses significant challenges for industries heavily reliant on accurate and timely insights. The absence of real-time forecasts in various industries presents pressing business challenges that can significantly impact decision-making and […]  ( 8 min )

In this episode of “AI Frontiers,” AI4Science Director Chris Bishop talks about the state of deep learning; his new textbook, “Deep Learning: Foundations and Concepts,” and the impact the field is having on the natural sciences. The post AI Frontiers: A deep dive into deep learning with Ashley Llorens and Chris Bishop appeared first on Microsoft Research.  ( 24 min )

As a student, I often made the mistake of thinking that if I knew a more powerful theorem, I didn’t need to learn a less powerful theorem. The reason this is a mistake is that the more powerful theorem may be better by one obvious criterion but not be better by other less-obvious criteria. The […] Integrals involving secants and tangents first appeared on John D. Cook.  ( 5 min )

Bilevel optimization has received more and more attention recently due to its wide applications in machine learning. In this paper, we consider bilevel optimization in decentralized networks. In particular, we propose a novel single-loop algorithm for solving decentralized bilevel optimization with strongly convex lower level problem. Our algorithm is fully single-loop and does not require heavy matrix-vector multiplications when approximating the hypergradient. Moreover, unlike existing methods for decentralized bilevel optimization and federated bilevel optimization, our algorithm does not require any gradient heterogeneity assumption. Our analysis shows that the proposed algorithm achieves a sublinear convergence rate. Experimental results on hyperparameter optimization problem with both synthetic and MNIST data sets demonstrate the efficiency of the proposed algorithm.  ( 2 min )

In part 1 of the series “A Different AI Scenario: AI and Justice in a Brave New World,” I outlined some requirements for the role that AI would play in enforcing our laws and regulations in a more just and fair manner and what our human legislators must do to ensure that outcome.  In part… Read More »AI and Justice in a Brave New World: Part 3 – AI Governance The post AI and Justice in a Brave New World: Part 3 – AI Governance appeared first on Data Science Central.  ( 23 min )

Vision transformers (ViTs) have recently been used for visual matching beyond object detection and segmentation. However, the original grid dividing strategy of ViTs neglects the spatial information of the keypoints, limiting the sensitivity to local information. Therefore, we propose QueryTrans (Query Transformer), which adopts a cross-attention module and keypoints-based center crop strategy for better spatial information extraction. We further integrate the graph attention module and devise a transformer-based graph matching approach GMTR (Graph Matching TRansformers) whereby the combinatorial nature of GM is addressed by a graph transformer neural GM solver. On standard GM benchmarks, GMTR shows competitive performance against the SOTA frameworks. Specifically, on Pascal VOC, GMTR achieves $\mathbf{83.6\%}$ accuracy, $\mathbf{0.9\%}$ higher than the SOTA framework. On Spair-71k, GMTR shows great potential and outperforms most of the previous works. Meanwhile, on Pascal VOC, QueryTrans improves the accuracy of NGMv2 from $80.1\%$ to $\mathbf{83.3\%}$, and BBGM from $79.0\%$ to $\mathbf{84.5\%}$. On Spair-71k, QueryTrans improves NGMv2 from $80.6\%$ to $\mathbf{82.5\%}$, and BBGM from $82.1\%$ to $\mathbf{83.9\%}$. Source code will be made publicly available.  ( 2 min )

In recent years, Transformer-based auto-attention mechanisms have been successfully applied to the analysis of a variety of context-reliant data types, from texts to images and beyond, including data from non-Euclidean geometries. In this paper, we present such a mechanism, designed to classify sequences of Symmetric Positive Definite matrices while preserving their Riemannian geometry throughout the analysis. We apply our method to automatic sleep staging on timeseries of EEG-derived covariance matrices from a standard dataset, obtaining high levels of stage-wise performance.  ( 2 min )

Model adaptation is crucial to handle the discrepancy between proxy training data and actual users data received. To effectively perform adaptation, textual data of users is typically stored on servers or their local devices, where downstream natural language processing (NLP) models can be directly trained using such in-domain data. However, this might raise privacy and security concerns due to the extra risks of exposing user information to adversaries. Replacing identifying information in textual data with a generic marker has been recently explored. In this work, we leverage large language models (LLMs) to suggest substitutes of masked tokens and have their effectiveness evaluated on downstream language modeling tasks. Specifically, we propose multiple pre-trained and fine-tuned LLM-based approaches and perform empirical studies on various datasets for the comparison of these methods. Experimental results show that models trained on the obfuscation corpora are able to achieve comparable performance with the ones trained on the original data without privacy-preserving token masking.  ( 2 min )

This paper introduces a physics-informed machine learning approach for pathloss prediction. This is achieved by including in the training phase simultaneously (i) physical dependencies between spatial loss field and (ii) measured pathloss values in the field. It is shown that the solution to a proposed learning problem improves generalization and prediction quality with a small number of neural network layers and parameters. The latter leads to fast inference times which are favorable for downstream tasks such as localization. Moreover, the physics-informed formulation allows training and prediction with a small amount of training data which makes it appealing for a wide range of practical pathloss prediction scenarios.  ( 2 min )

Real-time monitoring of human behaviours, especially in e-Health applications, has been an active area of research in the past decades. On top of IoT-based sensing environments, anomaly detection algorithms have been proposed for the early detection of abnormalities. Gradual change procedures, commonly referred to as drift anomalies, have received much less attention in the literature because they represent a much more challenging scenario than sudden temporary changes (point anomalies). In this paper, we propose, for the first time, a fully unsupervised real-time drift detection algorithm named DynAmo, which can identify drift periods as they are happening. DynAmo comprises a dynamic clustering component to capture the overall trends of monitored behaviours and a trajectory generation component, which extracts features from the densest cluster centroids. Finally, we apply an ensemble of divergence tests on sliding reference and detection windows to detect drift periods in the behavioural sequence.  ( 2 min )

Using symmetry as an inductive bias in deep learning has been proven to be a principled approach for sample-efficient model design. However, the relationship between symmetry and the imperative for equivariance in neural networks is not always obvious. Here, we analyze a key limitation that arises in equivariant functions: their incapacity to break symmetry at the level of individual data samples. In response, we introduce a novel notion of 'relaxed equivariance' that circumvents this limitation. We further demonstrate how to incorporate this relaxation into equivariant multilayer perceptrons (E-MLPs), offering an alternative to the noise-injection method. The relevance of symmetry breaking is then discussed in various application domains: physics, graph representation learning, combinatorial optimization and equivariant decoding.  ( 2 min )

Distributed stochastic optimization has drawn great attention recently due to its effectiveness in solving large-scale machine learning problems. Though numerous algorithms have been proposed and successfully applied to general practical problems, their theoretical guarantees mainly rely on certain boundedness conditions on the stochastic gradients, varying from uniform boundedness to the relaxed growth condition. In addition, how to characterize the data heterogeneity among the agents and its impacts on the algorithmic performance remains challenging. In light of such motivations, we revisit the classical Federated Averaging (FedAvg) algorithm (McMahan et al., 2017) as well as the more recent SCAFFOLD method (Karimireddy et al., 2020) for solving the distributed stochastic optimization problem and establish the convergence results under only a mild variance condition on the stochastic gradients for smooth nonconvex objective functions. Almost sure convergence to a stationary point is also established under the condition. Moreover, we discuss a more informative measurement for data heterogeneity as well as its implications.  ( 2 min )

We study experiment design for unique identification of the causal graph of a simple SCM, where the graph may contain cycles. The presence of cycles in the structure introduces major challenges for experiment design as, unlike acyclic graphs, learning the skeleton of causal graphs with cycles may not be possible from merely the observational distribution. Furthermore, intervening on a variable in such graphs does not necessarily lead to orienting all the edges incident to it. In this paper, we propose an experiment design approach that can learn both cyclic and acyclic graphs and hence, unifies the task of experiment design for both types of graphs. We provide a lower bound on the number of experiments required to guarantee the unique identification of the causal graph in the worst case, showing that the proposed approach is order-optimal in terms of the number of experiments up to an additive logarithmic term. Moreover, we extend our result to the setting where the size of each experiment is bounded by a constant. For this case, we show that our approach is optimal in terms of the size of the largest experiment required for uniquely identifying the causal graph in the worst case.  ( 3 min )

In the hydrology field, time series forecasting is crucial for efficient water resource management, improving flood and drought control and increasing the safety and quality of life for the general population. However, predicting long-term streamflow is a complex task due to the presence of extreme events. It requires the capture of long-range dependencies and the modeling of rare but important extreme values. Existing approaches often struggle to tackle these dual challenges simultaneously. In this paper, we specifically delve into these issues and propose Distance-weighted Auto-regularized Neural network (DAN), a novel extreme-adaptive model for long-range forecasting of stremflow enhanced by polar representation learning. DAN utilizes a distance-weighted multi-loss mechanism and stackable blocks to dynamically refine indicator sequences from exogenous data, while also being able to handle uni-variate time-series by employing Gaussian Mixture probability modeling to improve robustness to severe events. We also introduce Kruskal-Wallis sampling and gate control vectors to handle imbalanced extreme data. On four real-life hydrologic streamflow datasets, we demonstrate that DAN significantly outperforms both state-of-the-art hydrologic time series prediction methods and general methods designed for long-term time series prediction.  ( 2 min )

The permutation flow shop scheduling (PFSS), aiming at finding the optimal permutation of jobs, is widely used in manufacturing systems. When solving large-scale PFSS problems, traditional optimization algorithms such as heuristics could hardly meet the demands of both solution accuracy and computational efficiency, thus learning-based methods have recently garnered more attention. Some work attempts to solve the problems by reinforcement learning methods, which suffer from slow convergence issues during training and are still not accurate enough regarding the solutions. To that end, we propose to train the model via expert-driven imitation learning, which accelerates convergence more stably and accurately. Moreover, in order to extract better feature representations of input jobs, we incorporate the graph structure as the encoder. The extensive experiments reveal that our proposed model obtains significant promotion and presents excellent generalizability in large-scale problems with up to 1000 jobs. Compared to the state-of-the-art reinforcement learning method, our model's network parameters are reduced to only 37\% of theirs, and the solution gap of our model towards the expert solutions decreases from 6.8\% to 1.3\% on average. The code is available at: \url{https://github.com/longkangli/PFSS-IL}.  ( 2 min )

In practical compressed sensing (CS), the obtained measurements typically necessitate quantization to a limited number of bits prior to transmission or storage. This nonlinear quantization process poses significant recovery challenges, particularly with extreme coarse quantization such as 1-bit. Recently, an efficient algorithm called QCS-SGM was proposed for quantized CS (QCS) which utilizes score-based generative models (SGM) as an implicit prior. Due to the adeptness of SGM in capturing the intricate structures of natural signals, QCS-SGM substantially outperforms previous QCS methods. However, QCS-SGM is constrained to (approximately) row-orthogonal sensing matrices as the computation of the likelihood score becomes intractable otherwise. To address this limitation, we introduce an advanced variant of QCS-SGM, termed QCS-SGM+, capable of handling general matrices effectively. The key idea is a Bayesian inference perspective on the likelihood score computation, wherein expectation propagation is employed for its approximate computation. Extensive experiments are conducted, demonstrating the substantial superiority of QCS-SGM+ over QCS-SGM for general sensing matrices beyond mere row-orthogonality.  ( 2 min )

This report considers the problem of resilient distributed optimization and stochastic learning in a server-based architecture. The system comprises a server and multiple agents, where each agent has its own local cost function. The agents collaborate with the server to find a minimum of the aggregate of the local cost functions. In the context of stochastic learning, the local cost of an agent is the loss function computed over the data at that agent. In this report, we consider this problem in a system wherein some of the agents may be Byzantine faulty and some of the agents may be slow (also called stragglers). In this setting, we investigate the conditions under which it is possible to obtain an "approximate" solution to the above problem. In particular, we introduce the notion of $(f, r; \epsilon)$-resilience to characterize how well the true solution is approximated in the presence of up to $f$ Byzantine faulty agents, and up to $r$ slow agents (or stragglers) -- smaller $\epsilon$ represents a better approximation. We also introduce a measure named $(f, r; \epsilon)$-redundancy to characterize the redundancy in the cost functions of the agents. Greater redundancy allows for a better approximation when solving the problem of aggregate cost minimization. In this report, we constructively show (both theoretically and empirically) that $(f, r; \mathcal{O}(\epsilon))$-resilience can indeed be achieved in practice, given that the local cost functions are sufficiently redundant.  ( 3 min )

We propose a new method called the Metropolis-adjusted Mirror Langevin algorithm for approximate sampling from distributions whose support is a compact and convex set. This algorithm adds an accept-reject filter to the Markov chain induced by a single step of the mirror Langevin algorithm (Zhang et al., 2020), which is a basic discretisation of the mirror Langevin dynamics. Due to the inclusion of this filter, our method is unbiased relative to the target, while known discretisations of the mirror Langevin dynamics including the mirror Langevin algorithm have an asymptotic bias. We give upper bounds for the mixing time of the proposed algorithm when the potential is relatively smooth, convex, and Lipschitz with respect to a self-concordant mirror function. As a consequence of the reversibility of the Markov chain induced by the algorithm, we obtain an exponentially better dependence on the error tolerance for approximate sampling. We also present numerical experiments that corroborate our theoretical findings.  ( 2 min )

Federated Learning is machine learning in the context of a network of clients whilst maintaining data residency and/or privacy constraints. Community detection is the unsupervised discovery of clusters of nodes within graph-structured data. The intersection of these two fields uncovers much opportunity, but also challenge. For example, it adds complexity due to missing connectivity information between privately held graphs. In this work, we explore the potential of federated community detection by conducting initial experiments across a range of existing datasets that showcase the gap in performance introduced by the distributed data. We demonstrate that isolated models would benefit from collaboration establishing a framework for investigating challenges within this domain. The intricacies of these research frontiers are discussed alongside proposed solutions to these issues.  ( 2 min )

Local Attention-guided Message Passing Mechanism (LAMP) adopted in Graph Attention Networks (GATs) is designed to adaptively learn the importance of neighboring nodes for better local aggregation on the graph, which can bring the representations of similar neighbors closer effectively, thus showing stronger discrimination ability. However, existing GATs suffer from a significant discrimination ability decline in heterophilic graphs because the high proportion of dissimilar neighbors can weaken the self-attention of the central node, jointly resulting in the deviation of the central node from similar nodes in the representation space. This kind of effect generated by neighboring nodes is called the Distraction Effect (DE) in this paper. To estimate and weaken the DE of neighboring nodes, we propose a Causally graph Attention network for Trimming heterophilic graph (CAT). To estimate the DE, since the DE are generated through two paths (grab the attention assigned to neighbors and reduce the self-attention of the central node), we use Total Effect to model DE, which is a kind of causal estimand and can be estimated from intervened data; To weaken the DE, we identify the neighbors with the highest DE (we call them Distraction Neighbors) and remove them. We adopt three representative GATs as the base model within the proposed CAT framework and conduct experiments on seven heterophilic datasets in three different sizes. Comparative experiments show that CAT can improve the node classification accuracy of all base GAT models. Ablation experiments and visualization further validate the enhancement of discrimination ability brought by CAT. The source code is available at https://github.com/GeoX-Lab/CAT.  ( 3 min )

Text-to-image diffusion models (SD) exhibit significant advancements while requiring extensive computational resources. Though many acceleration methods have been proposed, they suffer from generation quality degradation or extra training cost generalizing to new fine-tuned models. To address these limitations, we propose a novel and universal Stable-Diffusion (SD) acceleration module called SpeedUpNet(SUN). SUN can be directly plugged into various fine-tuned SD models without extra training. This technique utilizes cross-attention layers to learn the relative offsets in the generated image results between negative and positive prompts achieving classifier-free guidance distillation with negative prompts controllable, and introduces a Multi-Step Consistency (MSC) loss to ensure a harmonious balance between reducing inference steps and maintaining consistency in the generated output. Consequently, SUN significantly reduces the number of inference steps to just 4 steps and eliminates the need for classifier-free guidance. It leads to an overall speedup of more than 10 times for SD models compared to the state-of-the-art 25-step DPM-solver++, and offers two extra advantages: (1) classifier-free guidance distillation with controllable negative prompts and (2) seamless integration into various fine-tuned Stable-Diffusion models without training. The effectiveness of the SUN has been verified through extensive experimentation. Project Page: https://williechai.github.io/speedup-plugin-for-stable-diffusions.github.io  ( 2 min )

(1) The enhanced capability of Graph Neural Networks (GNNs) in unsupervised community detection of clustered nodes is attributed to their capacity to encode both the connectivity and feature information spaces of graphs. The identification of latent communities holds practical significance in various domains, from social networks to genomics. Current real-world performance benchmarks are perplexing due to the multitude of decisions influencing GNN evaluations for this task. (2) Three metrics are compared to assess the consistency of algorithm rankings in the presence of randomness. The consistency and quality of performance between the results under a hyperparameter optimisation with the default hyperparameters is evaluated. (3) The results compare hyperparameter optimisation with default hyperparameters, revealing a significant performance loss when neglecting hyperparameter investigation. A comparison of metrics indicates that ties in ranks can substantially alter the quantification of randomness. (4) Ensuring adherence to the same evaluation criteria may result in notable differences in the reported performance of methods for this task. The $W$ Randomness coefficient, based on the Wasserstein distance, is identified as providing the most robust assessment of randomness.  ( 3 min )

Backdoor attacks pose a serious security threat for training neural networks as they surreptitiously introduce hidden functionalities into a model. Such backdoors remain silent during inference on clean inputs, evading detection due to inconspicuous behavior. However, once a specific trigger pattern appears in the input data, the backdoor activates, causing the model to execute its concealed function. Detecting such poisoned samples within vast datasets is virtually impossible through manual inspection. To address this challenge, we propose a novel approach that enables model training on potentially poisoned datasets by utilizing the power of recent diffusion models. Specifically, we create synthetic variations of all training samples, leveraging the inherent resilience of diffusion models to potential trigger patterns in the data. By combining this generative approach with knowledge distillation, we produce student models that maintain their general performance on the task while exhibiting robust resistance to backdoor triggers.

Adversarial phenomenon has been widely observed in machine learning (ML) systems, especially in those using deep neural networks, describing that ML systems may produce inconsistent and incomprehensible predictions with humans at some particular cases. This phenomenon poses a serious security threat to the practical application of ML systems, and several advanced attack paradigms have been developed to explore it, mainly including backdoor attacks, weight attacks, and adversarial examples. For each individual attack paradigm, various defense paradigms have been developed to improve the model robustness against the corresponding attack paradigm. However, due to the independence and diversity of these defense paradigms, it is difficult to examine the overall robustness of an ML system against different kinds of attacks.This survey aims to build a systematic review of all existing defense paradigms from a unified perspective. Specifically, from the life-cycle perspective, we factorize a complete machine learning system into five stages, including pre-training, training, post-training, deployment, and inference stages, respectively. Then, we present a clear taxonomy to categorize and review representative defense methods at each individual stage. The unified perspective and presented taxonomies not only facilitate the analysis of the mechanism of each defense paradigm but also help us to understand connections and differences among different defense paradigms, which may inspire future research to develop more advanced, comprehensive defenses.  ( 2 min )

The capabilities of large language models (LLMs) have sparked debate over whether such systems just learn an enormous collection of superficial statistics or a coherent model of the data generation process -- a world model. We find preliminary evidence for the latter by analyzing the learned representations of three spatial datasets (world, US, NYC places) and three temporal datasets (historical figures, artworks, news headlines) in the Llama-2 family of models. We discover that LLMs learn linear representations of space and time across multiple scales. These representations are robust to prompting variations and unified across different entity types (e.g. cities and landmarks). In addition, we identify individual ``space neurons'' and ``time neurons'' that reliably encode spatial and temporal coordinates. While further investigation is needed, our results suggest modern LLMs learn rich spatiotemporal representations of the real world and possess basic ingredients of a world model.

The task of inductive link prediction in knowledge graphs (KGs) generally focuses on test predictions with solely new nodes but not both new nodes and new relation types. In this work, we formally define the concept of double permutation-equivariant representations that are equivariant to permutations of both node identities and edge relation types. We then show how double-equivariant architectures are able to self-supervise pre-train on distinct KG domains and zero-shot predict links on a new KG domain (with completely new entities and new relation types). We also introduce the concept of distributionally double equivariant positional embeddings designed to perform the same task. Finally, we empirically demonstrate the capability of the proposed models against baselines on a set of novel real-world benchmarks. More interestingly, we show that self-supervised pre-training on more KG domains increases the zero-shot ability of our model to predict on new relation types over new entities on unseen KG domains.

Multi-label image recognition in the low-label regime is a task of great challenge and practical significance. Previous works have focused on learning the alignment between textual and visual spaces to compensate for limited image labels, yet may suffer from reduced accuracy due to the scarcity of high-quality multi-label annotations. In this research, we leverage the powerful alignment between textual and visual features pretrained with millions of auxiliary image-text pairs. We introduce an efficient and effective framework called Evidence-guided Dual Context Optimization (DualCoOp++), which serves as a unified approach for addressing partial-label and zero-shot multi-label recognition. In DualCoOp++ we separately encode evidential, positive, and negative contexts for target classes as parametric components of the linguistic input (i.e., prompts). The evidential context aims to discover all the related visual content for the target class, and serves as guidance to aggregate positive and negative contexts from the spatial domain of the image, enabling better distinguishment between similar categories. Additionally, we introduce a Winner-Take-All module that promotes inter-class interaction during training, while avoiding the need for extra parameters and costs. As DualCoOp++ imposes minimal additional learnable overhead on the pretrained vision-language framework, it enables rapid adaptation to multi-label recognition tasks with limited annotations and even unseen classes. Experiments on standard multi-label recognition benchmarks across two challenging low-label settings demonstrate the superior performance of our approach compared to state-of-the-art methods.

A growing body of research on probabilistic programs and causal models has highlighted the need to reason compositionally about model classes that extend directed graphical models. Both probabilistic programs and causal models define a joint probability density over a set of random variables, and exhibit sparse structure that can be used to reason about causation and conditional independence. This work builds on recent work on Markov categories of probabilistic mappings to define a category whose morphisms combine a joint density, factorized over each sample space, with a deterministic mapping from samples to return values. This is a step towards closing the gap between recent category-theoretic descriptions of probability measures, and the operational definitions of factorized densities that are commonly employed in probabilistic programming and causal inference.

Both the path integral measure in field theory and ensembles of neural networks describe distributions over functions. When the central limit theorem can be applied in the infinite-width (infinite-$N$) limit, the ensemble of networks corresponds to a free field theory. Although an expansion in $1/N$ corresponds to interactions in the field theory, others, such as in a small breaking of the statistical independence of network parameters, can also lead to interacting theories. These other expansions can be advantageous over the $1/N$-expansion, for example by improved behavior with respect to the universal approximation theorem. Given the connected correlators of a field theory, one can systematically reconstruct the action order-by-order in the expansion parameter, using a new Feynman diagram prescription whose vertices are the connected correlators. This method is motivated by the Edgeworth expansion and allows one to derive actions for neural network field theories. Conversely, the correspondence allows one to engineer architectures realizing a given field theory by representing action deformations as deformations of neural network parameter densities. As an example, $\phi^4$ theory is realized as an infinite-$N$ neural network field theory.

Diffusion models are a family of generative models that yield record-breaking performance in tasks such as image synthesis, video generation, and molecule design. Despite their capabilities, their efficiency, especially in the reverse denoising process, remains a challenge due to slow convergence rates and high computational costs. In this work, we introduce an approach that leverages continuous dynamical systems to design a novel denoising network for diffusion models that is more parameter-efficient, exhibits faster convergence, and demonstrates increased noise robustness. Experimenting with denoising probabilistic diffusion models, our framework operates with approximately a quarter of the parameters and $\sim 30\%$ of the Floating Point Operations (FLOPs) compared to standard U-Nets in Denoising Diffusion Probabilistic Models (DDPMs). Furthermore, our model is faster in inference than the baseline models when measured in equal conditions while converging to better quality solutions.

Power efficiency is a critical design objective in modern microprocessor design. To evaluate the impact of architectural-level design decisions, an accurate yet efficient architecture-level power model is desired. However, widely adopted data-independent analytical power models like McPAT and Wattch have been criticized for their unreliable accuracy. While some machine learning (ML) methods have been proposed for architecture-level power modeling, they rely on sufficient known designs for training and perform poorly when the number of available designs is limited, which is typically the case in realistic scenarios. In this work, we derive a general formulation that unifies existing architecture-level power models. Based on the formulation, we propose PANDA, an innovative architecture-level solution that combines the advantages of analytical and ML power models. It achieves unprecedented high accuracy on unknown new designs even when there are very limited designs for training, which is a common challenge in practice. Besides being an excellent power model, it can predict area, performance, and energy accurately. PANDA further supports power prediction for unknown new technology nodes. In our experiments, besides validating the superior performance and the wide range of functionalities of PANDA, we also propose an application scenario, where PANDA proves to identify high-performance design configurations given a power constraint.  ( 2 min )

Wind speed at sea surface is a key quantity for a variety of scientific applications and human activities. Due to the non-linearity of the phenomenon, a complete description of such variable is made infeasible on both the small scale and large spatial extents. Methods relying on Data Assimilation techniques, despite being the state-of-the-art for Numerical Weather Prediction, can not provide the reconstructions with a spatial resolution that can compete with satellite imagery. In this work we propose a framework based on Variational Data Assimilation and Deep Learning concepts. This framework is applied to recover rich-in-time, high-resolution information on sea surface wind speed. We design our experiments using synthetic wind data and different sampling schemes for high-resolution and low-resolution versions of original data to emulate the real-world scenario of spatio-temporally heterogeneous observations. Extensive numerical experiments are performed to assess systematically the impact of low and high-resolution wind fields and in-situ observations on the model reconstruction performance. We show that in-situ observations with richer temporal resolution represent an added value in terms of the model reconstruction performance. We show how a multi-modal approach, that explicitly informs the model about the heterogeneity of the available observations, can improve the reconstruction task by exploiting the complementary information in spatial and local point-wise data. To conclude, we propose an analysis to test the robustness of the chosen framework against phase delay and amplitude biases in low-resolution data and against interruptions of in-situ observations supply at evaluation time

We propose a multi-step training method for designing generalized linear classifiers. First, an initial multi-class linear classifier is found through regression. Then validation error is minimized by pruning of unnecessary inputs. Simultaneously, desired outputs are improved via a method similar to the Ho-Kashyap rule. Next, the output discriminants are scaled to be net functions of sigmoidal output units in a generalized linear classifier. We then develop a family of batch training algorithm for the multi layer perceptron that optimizes its hidden layer size and number of training epochs. Next, we combine pruning with a growing approach. Later, the input units are scaled to be the net function of the sigmoidal output units that are then feed into as input to the MLP. We then propose resulting improvements in each of the deep learning blocks thereby improving the overall performance of the deep architecture. We discuss the principles and formulation regarding learning algorithms for deep autoencoders. We investigate several problems in deep autoencoders networks including training issues, the theoretical, mathematical and experimental justification that the networks are linear, optimizing the number of hidden units in each layer and determining the depth of the deep learning model. A direct implication of the current work is the ability to construct fast deep learning models using desktop level computational resources. This, in our opinion, promotes our design philosophy of building small but powerful algorithms. Performance gains are demonstrated at each step. Using widely available datasets, the final network's ten fold testing error is shown to be less than that of several other linear, generalized linear classifiers, multi layer perceptron and deep learners reported in the literature.

Finding symmetry breaking is essential for understanding the fundamental changes in the behaviors and properties of physical systems, from microscopic particle interactions to macroscopic phenomena like fluid dynamics and cosmic structures. Relaxed group convolution emerges as a solution for instances when physical systems without perfect symmetries and perfectly equivariant models are restrictive. In this paper, we provide both theoretical and empirical evidence that this flexible convolution technique allows the model to maintain the highest level of equivariance that is consistent with data and discover the subtle symmetry-breaking factors in various physical systems. We employ various relaxed group convolution architectures to uncover various symmetry-breaking factors in different physical systems, including the phase transition of crystal structure, the isotropy and homogeneity breaking in turbulence, and the time-reversal symmetry breaking in pendulum systems.

Federated Learning (FL) is a distributed learning paradigm that enhances users privacy by eliminating the need for clients to share raw, private data with the server. Despite the success, recent studies expose the vulnerability of FL to model inversion attacks, where adversaries reconstruct users private data via eavesdropping on the shared gradient information. We hypothesize that a key factor in the success of such attacks is the low entanglement among gradients per data within the batch during stochastic optimization. This creates a vulnerability that an adversary can exploit to reconstruct the sensitive data. Building upon this insight, we present a simple, yet effective defense strategy that obfuscates the gradients of the sensitive data with concealed samples. To achieve this, we propose synthesizing concealed samples to mimic the sensitive data at the gradient level while ensuring their visual dissimilarity from the actual sensitive data. Compared to the previous art, our empirical evaluations suggest that the proposed technique provides the strongest protection while simultaneously maintaining the FL performance.

Machine learning (ML) has been increasingly used to quantify chemical exchange saturation transfer (CEST) effect. ML models are typically trained using either measured data or fully simulated data. However, training with measured data often lacks sufficient training data, while training with fully simulated data may introduce bias due to limited simulations pools. This study introduces a new platform that combines simulated and measured components to generate partially synthetic CEST data, and to evaluate its feasibility for training ML models to predict amide proton transfer (APT) effect. Partially synthetic CEST signals were created using an inverse summation of APT effects from simulations and the other components from measurements. Training data were generated by varying APT simulation parameters and applying scaling factors to adjust the measured components, achieving a balance between simulation flexibility and fidelity. First, tissue-mimicking CEST signals along with ground truth information were created using multiple-pool model simulations to validate this method. Second, an ML model was trained individually on partially synthetic data, in vivo data, and fully simulated data, to predict APT effect in rat brains bearing 9L tumors. Experiments on tissue-mimicking data suggest that the ML method using the partially synthetic data is accurate in predicting APT. In vivo experiments suggest that our method provides more accurate and robust prediction than the training using in vivo data and fully synthetic data. Partially synthetic CEST data can address the challenges in conventional ML methods.

The recent success of neural networks in natural language processing has drawn renewed attention to learning sequence-to-sequence (seq2seq) tasks. While there exists a rich literature that studies classification and regression tasks using solvable models of neural networks, seq2seq tasks have not yet been studied from this perspective. Here, we propose a simple model for a seq2seq task that has the advantage of providing explicit control over the degree of memory, or non-Markovianity, in the sequences -- the stochastic switching-Ornstein-Uhlenbeck (SSOU) model. We introduce a measure of non-Markovianity to quantify the amount of memory in the sequences. For a minimal auto-regressive (AR) learning model trained on this task, we identify two learning regimes corresponding to distinct phases in the stationary state of the SSOU process. These phases emerge from the interplay between two different time scales that govern the sequence statistics. Moreover, we observe that while increasing the integration window of the AR model always improves performance, albeit with diminishing returns, increasing the non-Markovianity of the input sequences can improve or degrade its performance. Finally, we perform experiments with recurrent and convolutional neural networks that show that our observations carry over to more complicated neural network architectures.

A nuclear reactor based on MIT BEAVRS benchmark was used as a typical power generating Pressurized Water Reactor (PWR). The PARCS v3.2 nodal-diffusion core simulator was used as a full-core reactor physics solver to emulate the operation of a reactor and to generate training, and validation data for the ANN. The ANN was implemented with dedicated Python 3.8 code with Google's TensorFlow 2.0 library. The effort was based to a large extent on the process of appropriate automatic transformation of data generated by PARCS simulator, which was later used in the process of the ANN development. Various methods that allow obtaining better accuracy of the ANN predicted results were studied, such as trying different ANN architectures to find the optimal number of neurons in the hidden layers of the network. Results were later compared with the architectures proposed in the literature. For the selected best architecture predictions were made for different core parameters and their dependence on core loading patterns. In this study, a special focus was put on the prediction of the fuel cycle length for a given core loading pattern, as it can be considered one of the targets for plant economic operation. For instance, the length of a single fuel cycle depending on the initial core loading pattern was predicted with very good accuracy (>99%). This work contributes to the exploration of the usefulness of neural networks in solving nuclear reactor design problems. Thanks to the application of ANN, designers can avoid using an excessive amount of core simulator runs and more rapidly explore the space of possible solutions before performing more detailed design considerations.

With the rapid development of the internet in the past decade, it has become increasingly important to extract valuable information from vast resources efficiently, which is crucial for establishing a comprehensive digital ecosystem, particularly in the context of research surveys and comprehension. The foundation of these tasks focuses on accurate extraction and deep mining of data from scientific documents, which are essential for building a robust data infrastructure. However, parsing raw data or extracting data from complex scientific documents have been ongoing challenges. Current data extraction methods for scientific documents typically use rule-based (RB) or machine learning (ML) approaches. However, using rule-based methods can incur high coding costs for articles with intricate typesetting. Conversely, relying solely on machine learning methods necessitates annotation work for complex content types within the scientific document, which can be costly. Additionally, few studies have thoroughly defined and explored the hierarchical layout within scientific documents. The lack of a comprehensive definition of the internal structure and elements of the documents indirectly impacts the accuracy of text classification and object recognition tasks. From the perspective of analyzing the standard layout and typesetting used in the specified publication, we propose a new document layout analysis framework called CTBR(Compartment & Text Blocks Refinement). Firstly, we define scientific documents into hierarchical divisions: base domain, compartment, and text blocks. Next, we conduct an in-depth exploration and classification of the meanings of text blocks. Finally, we utilize the results of text block classification to implement object recognition within scientific documents based on rule-based compartment segmentation.  ( 3 min )

Large language models (LLMs) have demonstrated remarkable capabilities across a wide range of tasks. However, even the most advanced open-source LLMs, such as the LLaMA family models, still face challenges when it comes to accurately solving complex multi-step mathematical problems. In this paper, we present an innovative process-oriented math verifier called \textbf{Math-Shepherd}, which assigns a reward score to each step of the LLM's outputs on math problems. The training of Math-Shepherd is achieved using automatically constructed process-wise supervision data, breaking the bottleneck of heavy reliance on manual annotation in existing work. With the guidance of Math-Shepherd, a series of open-source LLMs demonstrate exceptional performance. Among them, DeepSeek 67B \citep{DeepSeek-llm} stands out by achieving accuracy rates of 93.3\% on the GSM8K dataset and 48.1\% on the MATH dataset, without external enhancement such as tool usage. Our Math-Shepherd also outperforms the self-consistency method and other existing verification models. We believe that automatic process supervision holds significant potential for the future evolution of LLMs.  ( 2 min )

Stochastic optimal control, which has the goal of driving the behavior of noisy systems, is broadly applicable in science, engineering and artificial intelligence. Our work introduces Stochastic Optimal Control Matching (SOCM), a novel Iterative Diffusion Optimization (IDO) technique for stochastic optimal control that stems from the same philosophy as the conditional score matching loss for diffusion models. That is, the control is learned via a least squares problem by trying to fit a matching vector field. The training loss, which is closely connected to the cross-entropy loss, is optimized with respect to both the control function and a family of reparameterization matrices which appear in the matching vector field. The optimization with respect to the reparameterization matrices aims at minimizing the variance of the matching vector field. Experimentally, our algorithm achieves lower error than all the existing IDO techniques for stochastic optimal control for three out of four control problems, in some cases by an order of magnitude. The key idea underlying SOCM is the path-wise reparameterization trick, a novel technique that is of independent interest, e.g., for generative modeling. Code at https://github.com/facebookresearch/SOC-matching

A default assumption in reinforcement learning (RL) and optimal control is that observations arrive at discrete time points on a fixed clock cycle. Yet, many applications involve continuous-time systems where the time discretization, in principle, can be managed. The impact of time discretization on RL methods has not been fully characterized in existing theory, but a more detailed analysis of its effect could reveal opportunities for improving data-efficiency. We address this gap by analyzing Monte-Carlo policy evaluation for LQR systems and uncover a fundamental trade-off between approximation and statistical error in value estimation. Importantly, these two errors behave differently to time discretization, leading to an optimal choice of temporal resolution for a given data budget. These findings show that managing the temporal resolution can provably improve policy evaluation efficiency in LQR systems with finite data. Empirically, we demonstrate the trade-off in numerical simulations of LQR instances and standard RL benchmarks for non-linear continuous control.

Neural predictors have shown great potential in the evaluation process of neural architecture search (NAS). However, current predictor-based approaches overlook the fact that training a predictor necessitates a considerable number of trained neural networks as the labeled training set, which is costly to obtain. Therefore, the critical issue in utilizing predictors for NAS is to train a high-performance predictor using as few trained neural networks as possible. Although some methods attempt to address this problem through unsupervised learning, they often result in inaccurate predictions. We argue that the unsupervised tasks intended for the common graph data are too challenging for neural networks, causing unsupervised training to be susceptible to performance crashes in NAS. To address this issue, we propose a Curricumum-guided Contrastive Learning framework for neural Predictor (DCLP). Our method simplifies the contrastive task by designing a novel curriculum to enhance the stability of unlabeled training data distribution during contrastive training. Specifically, we propose a scheduler that ranks the training data according to the contrastive difficulty of each data and then inputs them to the contrastive learner in order. This approach concentrates the training data distribution and makes contrastive training more efficient. By using our method, the contrastive learner incrementally learns feature representations via unsupervised data on a smooth learning curve, avoiding performance crashes that may occur with excessively variable training data distributions. We experimentally demonstrate that DCLP has high accuracy and efficiency compared with existing predictors, and shows promising potential to discover superior architectures in various search spaces when combined with search strategies. Our code is available at: https://github.com/Zhengsh123/DCLP.  ( 3 min )

Design optimisation potentially leads to lightweight aircraft structures with lower environmental impact. Due to the high number of design variables and constraints, these problems are ordinarily solved using gradient-based optimisation methods, leading to a local solution in the design space while the global space is neglected. Bayesian Optimisation is a promising path towards sample-efficient, global optimisation based on probabilistic surrogate models. While Bayesian optimisation methods have demonstrated their strength for problems with a low number of design variables, the scalability to high-dimensional problems while incorporating large-scale constraints is still lacking. Especially in aeroelastic tailoring where directional stiffness properties are embodied into the structural design of aircraft, to control aeroelastic deformations and to increase the aerodynamic and structural performance, the safe operation of the system needs to be ensured by involving constraints resulting from different analysis disciplines. Hence, a global design space search becomes even more challenging. The present study attempts to tackle the problem by using high-dimensional Bayesian Optimisation in combination with a dimensionality reduction approach to solve the optimisation problem occurring in aeroelastic tailoring, presenting a novel approach for high-dimensional problems with large-scale constraints. Experiments on well-known benchmark cases with black-box constraints show that the proposed approach can incorporate large-scale constraints.  ( 2 min )

Differentiable particle filters are an emerging class of sequential Bayesian inference techniques that use neural networks to construct components in state space models. Existing approaches are mostly based on offline supervised training strategies. This leads to the delay of the model deployment and the obtained filters are susceptible to distribution shift of test-time data. In this paper, we propose an online learning framework for differentiable particle filters so that model parameters can be updated as data arrive. The technical constraint is that there is no known ground truth state information in the online inference setting. We address this by adopting an unsupervised loss to construct the online model updating procedure, which involves a sequence of filtering operations for online maximum likelihood-based parameter estimation. We empirically evaluate the effectiveness of the proposed method, and compare it with supervised learning methods in simulation settings including a multivariate linear Gaussian state-space model and a simulated object tracking experiment.

Graph Neural Networks (GNNs) have emerged as a powerful tool for representation learning on graphs, but they often suffer from overfitting and label noise issues, especially when the data is scarce or imbalanced. Different from the paradigm of previous methods that rely on single-node confidence, in this paper, we introduce a novel Class-wise Selection for Graph Neural Networks, dubbed CSGNN, which employs a neighbor-aggregated latent space to adaptively select reliable nodes across different classes. Specifically, 1) to tackle the class imbalance issue, we introduce a dynamic class-wise selection mechanism, leveraging the clustering technique to identify clean nodes based on the neighbor-aggregated confidences. In this way, our approach can avoid the pitfalls of biased sampling which is common with global threshold techniques. 2) To alleviate the problem of noisy labels, built on the concept of the memorization effect, CSGNN prioritizes learning from clean nodes before noisy ones, thereby iteratively enhancing model performance while mitigating label noise. Through extensive experiments, we demonstrate that CSGNN outperforms state-of-the-art methods in terms of both effectiveness and robustness.

Multi-source domain adaptation (MSDA) methods aim to transfer knowledge from multiple labeled source domains to an unlabeled target domain. Although current methods achieve target joint distribution identifiability by enforcing minimal changes across domains, they often necessitate stringent conditions, such as an adequate number of domains, monotonic transformation of latent variables, and invariant label distributions. These requirements are challenging to satisfy in real-world applications. To mitigate the need for these strict assumptions, we propose a subspace identification theory that guarantees the disentanglement of domain-invariant and domain-specific variables under less restrictive constraints regarding domain numbers and transformation properties, thereby facilitating domain adaptation by minimizing the impact of domain shifts on invariant variables. Based on this theory, we develop a Subspace Identification Guarantee (SIG) model that leverages variational inference. Furthermore, the SIG model incorporates class-aware conditional alignment to accommodate target shifts where label distributions change with the domains. Experimental results demonstrate that our SIG model outperforms existing MSDA techniques on various benchmark datasets, highlighting its effectiveness in real-world applications.

This study harnesses the predictive capabilities of Long Short-Term Memory (LSTM) networks to analyse and predict road traffic accidents in Great Britain. It addresses the challenge of traffic accident forecasting, which is paramount for devising effective preventive measures. We utilised an extensive dataset encompassing reported collisions, casualties, and vehicles involvements from 1926 to 2022, provided by the Department for Transport (DfT). The data underwent stringent processing to rectify missing values and normalise features, ensuring robust LSTM network input.

Safety alignment of Large Language Models (LLMs) can be compromised with manual jailbreak attacks and (automatic) adversarial attacks. Recent studies suggest that defending against these attacks is possible: adversarial attacks generate unlimited but unreadable gibberish prompts, detectable by perplexity-based filters; manual jailbreak attacks craft readable prompts, but their limited number due to the necessity of human creativity allows for easy blocking. In this paper, we show that these solutions may be too optimistic. We introduce AutoDAN, an interpretable, gradient-based adversarial attack that merges the strengths of both attack types. Guided by the dual goals of jailbreak and readability, AutoDAN optimizes and generates tokens one by one from left to right, resulting in readable prompts that bypass perplexity filters while maintaining high attack success rates. Notably, these prompts, generated from scratch using gradients, are interpretable and diverse, with emerging strategies commonly seen in manual jailbreak attacks. They also generalize to unforeseen harmful behaviors and transfer to black-box LLMs better than their unreadable counterparts when using limited training data or a single proxy model. Furthermore, we show the versatility of AutoDAN by automatically leaking system prompts using a customized objective. Our work offers a new way to red-team LLMs and understand jailbreak mechanisms via interpretability.

Deep neural networks are becoming increasingly pervasive in academia and industry, matching and surpassing human performance on a wide variety of fields and related tasks. However, just as humans, even the largest artificial neural networks make mistakes, and once-correct predictions can become invalid as the world progresses in time. Augmenting datasets with samples that account for mistakes or up-to-date information has become a common workaround in practical applications. However, the well-known phenomenon of catastrophic forgetting poses a challenge in achieving precise changes in the implicitly memorized knowledge of neural network parameters, often requiring a full model re-training to achieve desired behaviors. That is expensive, unreliable, and incompatible with the current trend of large self-supervised pre-training, making it necessary to find more efficient and effective methods for adapting neural network models to changing data. To address this need, knowledge editing is emerging as a novel area of research that aims to enable reliable, data-efficient, and fast changes to a pre-trained target model, without affecting model behaviors on previously learned tasks. In this survey, we provide a brief review of this recent artificial intelligence field of research. We first introduce the problem of editing neural networks, formalize it in a common framework and differentiate it from more notorious branches of research such as continuous learning. Next, we provide a review of the most relevant knowledge editing approaches and datasets proposed so far, grouping works under four different families: regularization techniques, meta-learning, direct model editing, and architectural strategies. Finally, we outline some intersections with other fields of research and potential directions for future works.

Through evolution, nature has presented a set of remarkable protein materials, including elastins, silks, keratins and collagens with superior mechanical performances that play crucial roles in mechanobiology. However, going beyond natural designs to discover proteins that meet specified mechanical properties remains challenging. Here we report a generative model that predicts protein designs to meet complex nonlinear mechanical property-design objectives. Our model leverages deep knowledge on protein sequences from a pre-trained protein language model and maps mechanical unfolding responses to create novel proteins. Via full-atom molecular simulations for direct validation, we demonstrate that the designed proteins are novel, and fulfill the targeted mechanical properties, including unfolding energy and mechanical strength, as well as the detailed unfolding force-separation curves. Our model offers rapid pathways to explore the enormous mechanobiological protein sequence space unconstrained by biological synthesis, using mechanical features as target to enable the discovery of protein materials with superior mechanical properties.

We introduce Lagrangian Flow Networks (LFlows) for modeling fluid densities and velocities continuously in space and time. By construction, the proposed LFlows satisfy the continuity equation, a PDE describing mass conservation in its differentiable form. Our model is based on the insight that solutions to the continuity equation can be expressed as time-dependent density transformations via differentiable and invertible maps. This follows from classical theory of the existence and uniqueness of Lagrangian flows for smooth vector fields. Hence, we model fluid densities by transforming a base density with parameterized diffeomorphisms conditioned on time. The key benefit compared to methods relying on numerical ODE solvers or PINNs is that the analytic expression of the velocity is always consistent with changes in density. Furthermore, we require neither expensive numerical solvers, nor additional penalties to enforce the PDE. LFlows show higher predictive accuracy in density modeling tasks compared to competing models in 2D and 3D, while being computationally efficient. As a real-world application, we model bird migration based on sparse weather radar measurements.

Spiking Transformers have gained considerable attention because they achieve both the energy efficiency of Spiking Neural Networks (SNNs) and the high capacity of Transformers. However, the existing Spiking Transformer architectures, derived from Artificial Neural Networks (ANNs), exhibit a notable architectural gap, resulting in suboptimal performance compared to their ANN counterparts. Manually discovering optimal architectures is time-consuming. To address these limitations, we introduce AutoST, a training-free NAS method for Spiking Transformers, to rapidly identify high-performance Spiking Transformer architectures. Unlike existing training-free NAS methods, which struggle with the non-differentiability and high sparsity inherent in SNNs, we propose to utilize Floating-Point Operations (FLOPs) as a performance metric, which is independent of model computations and training dynamics, leading to a stronger correlation with performance. Our extensive experiments show that AutoST models outperform state-of-the-art manually or automatically designed SNN architectures on static and neuromorphic datasets. Full code, model, and data are released for reproduction.

Traditional Time-series Anomaly Detection (TAD) methods often struggle with the composite nature of complex time-series data and a diverse array of anomalies. We introduce TADNet, an end-to-end TAD model that leverages Seasonal-Trend Decomposition to link various types of anomalies to specific decomposition components, thereby simplifying the analysis of complex time-series and enhancing detection performance. Our training methodology, which includes pre-training on a synthetic dataset followed by fine-tuning, strikes a balance between effective decomposition and precise anomaly detection. Experimental validation on real-world datasets confirms TADNet's state-of-the-art performance across a diverse range of anomalies.

Large-scale Pre-Training Vision-Language Model such as CLIP has demonstrated outstanding performance in zero-shot classification, e.g. achieving 76.3% top-1 accuracy on ImageNet without seeing any example, which leads to potential benefits to many tasks that have no labeled data. However, while applying CLIP to a downstream target domain, the presence of visual and text domain gaps and cross-modality misalignment can greatly impact the model performance. To address such challenges, we propose ReCLIP, the first source-free domain adaptation method for vision-language models, which does not require any source data or target labeled data. ReCLIP first learns a projection space to mitigate the misaligned visual-text embeddings and learns pseudo labels, and then deploys cross-modality self-training with the pseudo labels, to update visual and text encoders, refine labels and reduce domain gaps and misalignments iteratively. With extensive experiments, we demonstrate ReCLIP reduces the average error rate of CLIP from 30.17% to 25.06% on 22 image classification benchmarks. Code available at https://github.com/michiganleon/ReCLIP_WACV.

Representing crystal structures of materials to facilitate determining them via neural networks is crucial for enabling machine-learning applications involving crystal structure estimation. Among these applications, the inverse design of materials can contribute to explore materials with desired properties without relying on luck or serendipity. We propose neural structure fields (NeSF) as an accurate and practical approach for representing crystal structures using neural networks. Inspired by the concepts of vector fields in physics and implicit neural representations in computer vision, the proposed NeSF considers a crystal structure as a continuous field rather than as a discrete set of atoms. Unlike existing grid-based discretized spatial representations, the NeSF overcomes the tradeoff between spatial resolution and computational complexity and can represent any crystal structure. We propose an autoencoder of crystal structures that can recover various crystal structures, such as those of perovskite structure materials and cuprate superconductors. Extensive quantitative results demonstrate the superior performance of the NeSF compared with the existing grid-based approach.

Estimating optimal dynamic policies from offline data is a fundamental problem in dynamic decision making. In the context of causal inference, the problem is known as estimating the optimal dynamic treatment regime. Even though there exists a plethora of methods for estimation, constructing confidence intervals for the value of the optimal regime and structural parameters associated with it is inherently harder, as it involves non-linear and non-differentiable functionals of unknown quantities that need to be estimated. Prior work resorted to sub-sample approaches that can deteriorate the quality of the estimate. We show that a simple soft-max approximation to the optimal treatment regime, for an appropriately fast growing temperature parameter, can achieve valid inference on the truly optimal regime. We illustrate our result for a two-period optimal dynamic regime, though our approach should directly extend to the finite horizon case. Our work combines techniques from semi-parametric inference and $g$-estimation, together with an appropriate triangular array central limit theorem, as well as a novel analysis of the asymptotic influence and asymptotic bias of softmax approximations.

We propose reinforcement learning to control the dynamical self-assembly of the dodecagonal quasicrystal (DDQC) from patchy particles. The patchy particles have anisotropic interactions with other particles and form DDQC. However, their structures at steady states are significantly influenced by the kinetic pathways of their structural formation. We estimate the best policy of temperature control trained by the Q-learning method and demonstrate that we can generate DDQC with few defects using the estimated policy. The temperature schedule obtained by reinforcement learning can reproduce the desired structure more efficiently than the conventional pre-fixed temperature schedule, such as annealing. To clarify the success of the learning, we also analyse a simple model describing the kinetics of structural changes through the motion in a triple-well potential. We have found that reinforcement learning autonomously discovers the critical temperature at which structural fluctuations enhance the chance of forming a globally stable state. The estimated policy guides the system toward the critical temperature to assist the formation of DDQC.

In this paper, a Robust Multi-branch Deep learning-based system for remaining useful life (RUL) prediction and condition operations (CO) identification of rotating machines is proposed. In particular, the proposed system comprises main components: (1) an LSTM-Autoencoder to denoise the vibration data; (2) a feature extraction to generate time-domain, frequency-domain, and time-frequency based features from the denoised data; (3) a novel and robust multi-branch deep learning network architecture to exploit the multiple features. The performance of our proposed system was evaluated and compared to the state-of-the-art systems on two benchmark datasets of XJTU-SY and PRONOSTIA. The experimental results prove that our proposed system outperforms the state-of-the-art systems and presents potential for real-life applications on bearing machines.

We present a self-supervised sensorimotor pre-training approach for robotics. Our model, called RPT, is a Transformer that operates on sequences of sensorimotor tokens. Given a sequence of camera images, proprioceptive robot states, and actions, we encode the sequence into tokens, mask out a subset, and train a model to predict the missing content from the rest. We hypothesize that if a robot can predict the masked-out content it will have acquired a good model of the physical world that can enable it to act. RPT is designed to operate on latent visual representations which makes prediction tractable, enables scaling to larger models, and allows fast inference on a real robot. To evaluate our approach, we collected a dataset of 20,000 real-world trajectories over 9 months using a combination of motion planning and grasping algorithms. We find that sensorimotor pre-training consistently outperforms training from scratch, has favorable scaling properties, and enables transfer across different tasks, environments, and robots.

Numerous explainability methods have been proposed to shed light on the inner workings of GNNs. Despite the inclusion of empirical evaluations in all the proposed algorithms, the interrogative aspects of these evaluations lack diversity. As a result, various facets of explainability pertaining to GNNs, such as a comparative analysis of counterfactual reasoners, their stability to variational factors such as different GNN architectures, noise, stochasticity in non-convex loss surfaces, feasibility amidst domain constraints, and so forth, have yet to be formally investigated. Motivated by this need, we present a benchmarking study on perturbation-based explainability methods for GNNs, aiming to systematically evaluate and compare a wide range of explainability techniques. Among the key findings of our study, we identify the Pareto-optimal methods that exhibit superior efficacy and stability in the presence of noise. Nonetheless, our study reveals that all algorithms are affected by stability issues when faced with noisy data. Furthermore, we have established that the current generation of counterfactual explainers often fails to provide feasible recourses due to violations of topological constraints encoded by domain-specific considerations. Overall, this benchmarking study empowers stakeholders in the field of GNNs with a comprehensive understanding of the state-of-the-art explainability methods, potential research problems for further enhancement, and the implications of their application in real-world scenarios.

We study the real-valued combinatorial pure exploration problem in the stochastic multi-armed bandit (R-CPE-MAB). We study the case where the size of the action set is polynomial with respect to the number of arms. In such a case, the R-CPE-MAB can be seen as a special case of the so-called transductive linear bandits. Existing methods in the R-CPE-MAB and transductive linear bandits have a gap of problem-dependent constant terms and logarithmic terms between the upper and lower bounds of the sample complexity, respectively. We close these gaps by proposing an algorithm named the combinatorial gap-based exploration (CombGapE) algorithm, whose sample complexity upper bound matches the lower bound. Finally, we numerically show that the CombGapE algorithm outperforms existing methods significantly.

Foundation models are trained on increasingly immense and opaque datasets. Even while these models are now key in AI system building, it can be difficult to answer the straightforward question: has the model already encountered a given example during training? We therefore propose a widespread adoption of Data Portraits: artifacts that record training data and allow for downstream inspection. First we outline the properties of such an artifact and discuss how existing solutions can be used to increase transparency. We then propose and implement a solution based on data sketching, stressing fast and space efficient querying. Using our tools, we document a popular language modeling corpus (The Pile) and a recently released code modeling dataset (The Stack). We show that our solution enables answering questions about test set leakage and model plagiarism. Our tool is lightweight and fast, costing only 3% of the dataset size in overhead. We release a live interface of our tools at https://dataportraits.org/ and call on dataset and model creators to release Data Portraits as a complement to current documentation practices.

We study Off-Policy Evaluation (OPE) in contextual bandit settings with large action spaces. The benchmark estimators suffer from severe bias and variance tradeoffs. Parametric approaches suffer from bias due to difficulty specifying the correct model, whereas ones with importance weight suffer from variance. To overcome these limitations, Marginalized Inverse Propensity Scoring (MIPS) was proposed to mitigate the estimator's variance via embeddings of an action. Nevertheless, MIPS is unbiased under the no direct effect, which assumes that the action embedding completely mediates the effect of an action on a reward. To overcome the dependency on these unrealistic assumptions, we propose a Marginalized Doubly Robust (MDR) estimator. Theoretical analysis shows that the proposed estimator is unbiased under weaker assumptions than MIPS while reducing the variance against MIPS. The empirical experiment verifies the supremacy of MDR against existing estimators with large action spaces.

Link prediction on graphs is a fundamental problem. Subgraph representation learning approaches (SGRLs), by transforming link prediction to graph classification on the subgraphs around the links, have achieved state-of-the-art performance in link prediction. However, SGRLs are computationally expensive, and not scalable to large-scale graphs due to expensive subgraph-level operations. To unlock the scalability of SGRLs, we propose a new class of SGRLs, that we call Scalable Simplified SGRL (S3GRL). Aimed at faster training and inference, S3GRL simplifies the message passing and aggregation operations in each link's subgraph. S3GRL, as a scalability framework, accommodates various subgraph sampling strategies and diffusion operators to emulate computationally-expensive SGRLs. We propose multiple instances of S3GRL and empirically study them on small to large-scale graphs. Our extensive experiments demonstrate that the proposed S3GRL models scale up SGRLs without significant performance compromise (even with considerable gains in some cases), while offering substantially lower computational footprints (e.g., multi-fold inference and training speedup).

Virtualization technologies are the foundation of modern ICT infrastructure, enabling service providers to create dedicated virtual networks (VNs) that can support a wide range of smart city applications. These VNs continuously generate massive amounts of data, necessitating stringent reliability and security requirements. In virtualized network environments, however, multiple VNs may coexist on the same physical infrastructure and, if not properly isolated, may interfere with or provide unauthorized access to one another. The former causes performance degradation, while the latter compromises the security of VNs. Service assurance for infrastructure providers becomes significantly more complicated when a specific VN violates the isolation requirement. In an effort to address the isolation issue, this paper proposes isolation during virtual network embedding (VNE), the procedure of allocating VNs onto physical infrastructure. We define a simple abstracted concept of isolation levels to capture the variations in isolation requirements and then formulate isolation-aware VNE as an optimization problem with resource and isolation constraints. A deep reinforcement learning (DRL)-based VNE algorithm ISO-DRL_VNE, is proposed that considers resource and isolation constraints and is compared to the existing three state-of-the-art algorithms: NodeRank, Global Resource Capacity (GRC), and Mote-Carlo Tree Search (MCTS). Evaluation results show that the ISO-DRL_VNE algorithm outperforms others in acceptance ratio, long-term average revenue, and long-term average revenue-to-cost ratio by 6%, 13%, and 15%.

Deep graph generative modeling has gained enormous attraction in recent years due to its impressive ability to directly learn the underlying hidden graph distribution. Despite their initial success, these techniques, like much of the existing deep generative methods, require a large number of training samples to learn a good model. Unfortunately, large number of training samples may not always be available in scenarios such as drug discovery for rare diseases. At the same time, recent advances in few-shot learning have opened door to applications where available training data is limited. In this work, we introduce the hitherto unexplored paradigm of few-shot graph generative modeling. Towards this, we develop GSHOT, a meta-learning based framework for few-shot labeled graph generative modeling. GSHOT learns to transfer meta-knowledge from similar auxiliary graph datasets. Utilizing these prior experiences, GSHOT quickly adapts to an unseen graph dataset through self-paced fine-tuning. Through extensive experiments on datasets from diverse domains having limited training samples, we establish that GSHOT generates graphs of superior fidelity compared to existing baselines.

While adversarial perturbation of images to attack deep image classification models pose serious security concerns in practice, this paper suggests a novel paradigm where the concept of image perturbation can benefit classification performance, which we call amicable aid. We show that by taking the opposite search direction of perturbation, an image can be modified to yield higher classification confidence and even a misclassified image can be made correctly classified. This can be also achieved with a large amount of perturbation by which the image is made unrecognizable by human eyes. The mechanism of the amicable aid is explained in the viewpoint of the underlying natural image manifold. Furthermore, we investigate the universal amicable aid, i.e., a fixed perturbation can be applied to multiple images to improve their classification results. While it is challenging to find such perturbations, we show that making the decision boundary as perpendicular to the image manifold as possible via training with modified data is effective to obtain a model for which universal amicable perturbations are more easily found.

Humanoid robots that can autonomously operate in diverse environments have the potential to help address labour shortages in factories, assist elderly at homes, and colonize new planets. While classical controllers for humanoid robots have shown impressive results in a number of settings, they are challenging to generalize and adapt to new environments. Here, we present a fully learning-based approach for real-world humanoid locomotion. Our controller is a causal transformer that takes the history of proprioceptive observations and actions as input and predicts the next action. We hypothesize that the observation-action history contains useful information about the world that a powerful transformer model can use to adapt its behavior in-context, without updating its weights. We train our model with large-scale model-free reinforcement learning on an ensemble of randomized environments in simulation and deploy it to the real world zero-shot. Our controller can walk over various outdoor terrains, is robust to external disturbances, and can adapt in context.

Knowledge-based visual question answering (VQA) requires external knowledge beyond the image to answer the question. Early studies retrieve required knowledge from explicit knowledge bases (KBs), which often introduces irrelevant information to the question, hence restricting the performance of their models. Recent works have resorted to using a powerful large language model (LLM) as an implicit knowledge engine to acquire the necessary knowledge for answering. Despite the encouraging results achieved by these methods, we argue that they have not fully activated the capacity of the blind LLM as the provided textual input is insufficient to depict the required visual information to answer the question. In this paper, we present Prophet -- a conceptually simple, flexible, and general framework designed to prompt LLM with answer heuristics for knowledge-based VQA. Specifically, we first train a vanilla VQA model on a specific knowledge-based VQA dataset without external knowledge. After that, we extract two types of complementary answer heuristics from the VQA model: answer candidates and answer-aware examples. Finally, the two types of answer heuristics are jointly encoded into a formatted prompt to facilitate the LLM's understanding of both the image and question, thus generating a more accurate answer. By incorporating the state-of-the-art LLM GPT-3, Prophet significantly outperforms existing state-of-the-art methods on four challenging knowledge-based VQA datasets. To demonstrate the generality of our approach, we instantiate Prophet with the combinations of different VQA models (i.e., both discriminative and generative ones) and different LLMs (i.e., both commercial and open-source ones).

The combination of audio and vision has long been a topic of interest in the multi-modal community. Recently, a new audio-visual segmentation (AVS) task has been introduced, aiming to locate and segment the sounding objects in a given video. This task demands audio-driven pixel-level scene understanding for the first time, posing significant challenges. In this paper, we propose AVSegFormer, a novel framework for AVS tasks that leverages the transformer architecture. Specifically, we introduce audio queries and learnable queries into the transformer decoder, enabling the network to selectively attend to interested visual features. Besides, we present an audio-visual mixer, which can dynamically adjust visual features by amplifying relevant and suppressing irrelevant spatial channels. Additionally, we devise an intermediate mask loss to enhance the supervision of the decoder, encouraging the network to produce more accurate intermediate predictions. Extensive experiments demonstrate that AVSegFormer achieves state-of-the-art results on the AVS benchmark. The code is available at https://github.com/vvvb-github/AVSegFormer.

By approximating posterior distributions with weighted samples, particle filters (PFs) provide an efficient mechanism for solving non-linear sequential state estimation problems. While the effectiveness of particle filters has been recognised in various applications, their performance relies on the knowledge of dynamic models and measurement models, as well as the construction of effective proposal distributions. An emerging trend involves constructing components of particle filters using neural networks and optimising them by gradient descent, and such data-adaptive particle filtering approaches are often called differentiable particle filters. Due to the expressiveness of neural networks, differentiable particle filters are a promising computational tool for performing inference on sequential data in complex, high-dimensional tasks, such as vision-based robot localisation. In this paper, we review recent advances in differentiable particle filters and their applications. We place special emphasis on different design choices for key components of differentiable particle filters, including dynamic models, measurement models, proposal distributions, optimisation objectives, and differentiable resampling techniques.

With the proliferation of ever more complicated Deep Learning architectures, data synthesis is a highly promising technique to address the demand of data-hungry models. However, reliably assessing the quality of a 'synthesiser' model's output is an open research question with significant associated risks for high-stake domains. To address this challenge, we have designed a unique confident data synthesis algorithm that introduces statistical confidence guarantees through a novel extension of the Conformal Prediction framework. We support our proposed algorithm with theoretical proofs and an extensive empirical evaluation of five benchmark datasets. To show our approach's versatility on ubiquitous real-world challenges, the datasets were carefully selected for their variety of difficult characteristics: low sample count, class imbalance and non-separability, and privacy-sensitive data. In all trials, training sets extended with our confident synthesised data performed at least as well as the original, and frequently significantly improved Deep Learning performance by up to +65% F1-score.  ( 2 min )

Finding the initial conditions that led to the current state of the universe is challenging because it involves searching over an intractable input space of initial conditions, along with modeling their evolution via tools such as N-body simulations which are computationally expensive. Recently, deep learning has emerged as a surrogate for N-body simulations by directly learning the mapping between the linear input of an N-body simulation and the final nonlinear output from the simulation, significantly accelerating the forward modeling. However, this still does not reduce the search space for initial conditions. In this work, we pioneer the use of a deterministic convolutional neural network for learning the reverse mapping and show that it accurately recovers the initial linear displacement field over a wide range of scales ($<1$-$2\%$ error up to nearly $k\simeq0.8$-$0.9 \text{ Mpc}^{-1}h$), despite the one-to-many mapping of the inverse problem (due to the divergent backward trajectories at smaller scales). Specifically, we train a V-Net architecture, which outputs the linear displacement of an N-body simulation, given the nonlinear displacement at redshift $z=0$ and the cosmological parameters. The results of our method suggest that a simple deterministic neural network is sufficient for accurately approximating the initial linear states, potentially obviating the need for the more complex and computationally demanding backward modeling methods that were recently proposed.  ( 3 min )

The current state-of-the-art large language models (LLMs) are effective in generating high-quality text and encapsulating a broad spectrum of world knowledge. However, these models often hallucinate during generation and are not designed to utilize external information sources. To enable requests to the external knowledge bases, also called knowledge grounding, retrieval-augmented LLMs were introduced. For now, their applications have largely involved Open Domain Question Answering, Abstractive Question Answering, and such. In this paper, we broaden the scope of retrieval-augmented LLMs by venturing into a new task - code generation using external entities. For this task, we collect and publish a new dataset for project-level code generation, where the model should reuse functions defined in the project during generation. As we show, existing retrieval-augmented LLMs fail to assign relevance scores between similar entity names, and to mitigate it, they expand entity names with description context and append it to the input. In practice, due to the limited context size they can not accommodate the indefinitely large context of the whole project. To solve this issue, we propose a novel end-to-end trainable architecture with an scalable entity retriever injected directly into the LLM decoder. We demonstrate that our model can outperform common baselines in several scenarios, including project-level code generation, as well as Bash and SQL scripting.  ( 2 min )

We propose a novel framework DropTop that suppresses the shortcut bias in online continual learning (OCL) while being adaptive to the varying degree of the shortcut bias incurred by continuously changing environment. By the observed high-attention property of the shortcut bias, highly-activated features are considered candidates for debiasing. More importantly, resolving the limitation of the online environment where prior knowledge and auxiliary data are not ready, two novel techniques -- feature map fusion and adaptive intensity shifting -- enable us to automatically determine the appropriate level and proportion of the candidate shortcut features to be dropped. Extensive experiments on five benchmark datasets demonstrate that, when combined with various OCL algorithms, DropTop increases the average accuracy by up to 10.4% and decreases the forgetting by up to 63.2%.  ( 2 min )

We study vehicle dispatching in autonomous mobility on demand (AMoD) systems, where a central operator assigns vehicles to customer requests or rejects these with the aim of maximizing its total profit. Recent approaches use multi-agent deep reinforcement learning (MADRL) to realize scalable yet performant algorithms, but train agents based on local rewards, which distorts the reward signal with respect to the system-wide profit, leading to lower performance. We therefore propose a novel global-rewards-based MADRL algorithm for vehicle dispatching in AMoD systems, which resolves so far existing goal conflicts between the trained agents and the operator by assigning rewards to agents leveraging a counterfactual baseline. Our algorithm shows statistically significant improvements across various settings on real-world data compared to state-of-the-art MADRL algorithms with local rewards. We further provide a structural analysis which shows that the utilization of global rewards can improve implicit vehicle balancing and demand forecasting abilities. Our code is available at https://github.com/tumBAIS/GR-MADRL-AMoD.  ( 2 min )

This paper introduces Personalized Path Recourse, a novel method that generates recourse paths for an agent. The objective is to achieve desired goals (e.g., better outcomes compared to the agent's original paths of action), while ensuring a high similarity to the agent's original paths and being personalized to the agent. Personalization refers to the extent to which the new path is tailored to the agent's observed behavior patterns from their policy function. We train a personalized recourse agent to generate such personalized paths, which are obtained using reward functions that consider the goal, similarity, and personalization. The proposed method is applicable to both reinforcement learning and supervised learning settings for correcting or improving sequences of actions or sequences of data to achieve a pre-determined goal. The method is evaluated in various settings and demonstrates promising results.  ( 2 min )

Pretrained foundation models offer substantial benefits for a wide range of downstream tasks, which can be one of the most potential techniques to access artificial general intelligence. However, scaling up foundation transformers for maximal task-agnostic knowledge has brought about computational challenges, especially on resource-limited devices such as mobiles. This work proposes the first Binary Pretrained Foundation Transformer (BiPFT) for natural language understanding (NLU) tasks, which remarkably saves 56 times operations and 28 times memory. In contrast to previous task-specific binary transformers, BiPFT exhibits a substantial enhancement in the learning capabilities of binary neural networks (BNNs), promoting BNNs into the era of pre-training. Benefiting from extensive pretraining data, we further propose a data-driven binarization method. Specifically, we first analyze the binarization error in self-attention operations and derive the polynomials of binarization error. To simulate full-precision self-attention, we define binarization error as binarization residual polynomials, and then introduce low-rank estimators to model these polynomials. Extensive experiments validate the effectiveness of BiPFTs, surpassing task-specific baseline by 15.4% average performance on the GLUE benchmark. BiPFT also demonstrates improved robustness to hyperparameter changes, improved optimization efficiency, and reduced reliance on downstream distillation, which consequently generalize on various NLU tasks and simplify the downstream pipeline of BNNs. Our code and pretrained models are publicly available at https://github.com/Xingrun-Xing/BiPFT.  ( 2 min )

Reconstructing the sound field in a room is an important task for several applications, such as sound control and augmented (AR) or virtual reality (VR). In this paper, we propose a data-driven generative model for reconstructing the magnitude of acoustic fields in rooms with a focus on the modal frequency range. We introduce, for the first time, the use of a conditional Denoising Diffusion Probabilistic Model (DDPM) trained in order to reconstruct the sound field (SF-Diff) over an extended domain. The architecture is devised in order to be conditioned on a set of limited available measurements at different frequencies and generate the sound field in target, unknown, locations. The results show that SF-Diff is able to provide accurate reconstructions, outperforming a state-of-the-art baseline based on kernel interpolation.  ( 2 min )

We propose a framework that leverages foundation models as teachers, guiding a reinforcement learning agent to acquire semantically meaningful behavior without human feedback. In our framework, the agent receives task instructions grounded in a training environment from large language models. Then, a vision-language model guides the agent in learning the multi-task language-conditioned policy by providing reward feedback. We demonstrate that our method can learn semantically meaningful skills in a challenging open-ended MineDojo environment while prior unsupervised skill discovery methods struggle. Additionally, we discuss observed challenges of using off-the-shelf foundation models as teachers and our efforts to address them.  ( 2 min )

In this work, we study the problem of continual learning (CL) where the goal is to learn a model on a sequence of tasks, such that the data from the previous tasks becomes unavailable while learning on the current task data. CL is essentially a balancing act between being able to learn on the new task (i.e., plasticity) and maintaining the performance on the previously learned concepts (i.e., stability). With an aim to address the stability-plasticity trade-off, we propose to perform weight-ensembling of the model parameters of the previous and current task. This weight-ensembled model, which we call Continual Model Averaging (or CoMA), attains high accuracy on the current task by leveraging plasticity, while not deviating too far from the previous weight configuration, ensuring stability. We also propose an improved variant of CoMA, named Continual Fisher-weighted Model Averaging (or CoFiMA), that selectively weighs each parameter in the weight ensemble by leveraging the Fisher information of the weights of the model. Both the variants are conceptually simple, easy to implement, and effective in attaining state-of-the-art performance on several standard CL benchmarks.  ( 2 min )

LLMs often face competing pressures (for example helpfulness vs. harmlessness). To understand how models resolve such conflicts, we study Llama-2-chat models on the forbidden fact task. Specifically, we instruct Llama-2 to truthfully complete a factual recall statement while forbidding it from saying the correct answer. This often makes the model give incorrect answers. We decompose Llama-2 into 1000+ components, and rank each one with respect to how useful it is for forbidding the correct answer. We find that in aggregate, around 35 components are enough to reliably implement the full suppression behavior. However, these components are fairly heterogeneous and many operate using faulty heuristics. We discover that one of these heuristics can be exploited via a manually designed adversarial attack which we call The California Attack. Our results highlight some roadblocks standing in the way of being able to successfully interpret advanced ML systems. Project website available at https://forbiddenfacts.github.io .  ( 2 min )

We present several methods for predicting the dynamics of Hamiltonian systems from discrete observations of their vector field. Each method is either informed or uninformed of the Hamiltonian property. We empirically and comparatively evaluate the methods and observe that information that the system is Hamiltonian can be effectively informed, and that different methods strike different trade-offs between efficiency and effectiveness for different dynamical systems.  ( 2 min )

Deep learning has achieved remarkable success in graph-related tasks, yet this accomplishment heavily relies on large-scale high-quality annotated datasets. However, acquiring such datasets can be cost-prohibitive, leading to the practical use of labels obtained from economically efficient sources such as web searches and user tags. Unfortunately, these labels often come with noise, compromising the generalization performance of deep networks. To tackle this challenge and enhance the robustness of deep learning models against label noise in graph-based tasks, we propose a method called ERASE (Error-Resilient representation learning on graphs for lAbel noiSe tolerancE). The core idea of ERASE is to learn representations with error tolerance by maximizing coding rate reduction. Particularly, we introduce a decoupled label propagation method for learning representations. Before training, noisy labels are pre-corrected through structural denoising. During training, ERASE combines prototype pseudo-labels with propagated denoised labels and updates representations with error resilience, which significantly improves the generalization performance in node classification. The proposed method allows us to more effectively withstand errors caused by mislabeled nodes, thereby strengthening the robustness of deep networks in handling noisy graph data. Extensive experimental results show that our method can outperform multiple baselines with clear margins in broad noise levels and enjoy great scalability. Codes are released at https://github.com/eraseai/erase.  ( 2 min )

This paper introduces a novel Parameter-Efficient Fine-Tuning (PEFT) framework for multi-modal, multi-task transfer learning with pre-trained language models. PEFT techniques such as LoRA, BitFit and IA3 have demonstrated comparable performance to full fine-tuning of pre-trained models for specific downstream tasks, all while demanding significantly fewer trainable parameters and reduced GPU memory consumption. However, in the context of multi-modal fine-tuning, the need for architectural modifications or full fine-tuning often becomes apparent. To address this we propose Context-PEFT, which learns different groups of adaptor parameters based on the token's domain. This approach enables LoRA-like weight injection without requiring additional architectural changes. Our method is evaluated on the COCO captioning task, where it outperforms full fine-tuning under similar data constraints while simultaneously offering a substantially more parameter-efficient and computationally economical solution.  ( 2 min )

Building general-purpose robots that can operate seamlessly, in any environment, with any object, and utilizing various skills to complete diverse tasks has been a long-standing goal in Artificial Intelligence. Unfortunately, however, most existing robotic systems have been constrained - having been designed for specific tasks, trained on specific datasets, and deployed within specific environments. These systems usually require extensively-labeled data, rely on task-specific models, have numerous generalization issues when deployed in real-world scenarios, and struggle to remain robust to distribution shifts. Motivated by the impressive open-set performance and content generation capabilities of web-scale, large-capacity pre-trained models (i.e., foundation models) in research fields such as Natural Language Processing (NLP) and Computer Vision (CV), we devote this survey to exploring (i) how these existing foundation models from NLP and CV can be applied to the field of robotics, and also exploring (ii) what a robotics-specific foundation model would look like. We begin by providing an overview of what constitutes a conventional robotic system and the fundamental barriers to making it universally applicable. Next, we establish a taxonomy to discuss current work exploring ways to leverage existing foundation models for robotics and develop ones catered to robotics. Finally, we discuss key challenges and promising future directions in using foundation models for enabling general-purpose robotic systems. We encourage readers to view our ``living`` GitHub repository of resources, including papers reviewed in this survey as well as related projects and repositories for developing foundation models for robotics.  ( 3 min )

In the study of the brain, there is a hypothesis that sparse coding is realized in information representation of external stimuli, which is experimentally confirmed for visual stimulus recently. However, unlike the specific functional region in the brain, sparse coding in information processing in the whole brain has not been clarified sufficiently. In this study, we investigate the validity of sparse coding in the whole human brain by applying various matrix factorization methods to functional magnetic resonance imaging data of neural activities in the whole human brain. The result suggests sparse coding hypothesis in information representation in the whole human brain, because extracted features from sparse MF method, SparsePCA or MOD under high sparsity setting, or approximate sparse MF method, FastICA, can classify external visual stimuli more accurately than non-sparse MF method or sparse MF method under low sparsity setting.  ( 2 min )

Incomplete multi-view clustering becomes an important research problem, since multi-view data with missing values are ubiquitous in real-world applications. Although great efforts have been made for incomplete multi-view clustering, there are still some challenges: 1) most existing methods didn't make full use of multi-view information to deal with missing values; 2) most methods just employ the consistent information within multi-view data but ignore the complementary information; 3) For the existing incomplete multi-view clustering methods, incomplete multi-view representation learning and clustering are treated as independent processes, which leads to performance gap. In this work, we proposed a novel Incomplete Contrastive Multi-View Clustering method with high-confidence guiding (ICMVC). Firstly, we proposed a multi-view consistency relation transfer plus graph convolutional network to tackle missing values problem. Secondly, instance-level attention fusion and high-confidence guiding are proposed to exploit the complementary information while instance-level contrastive learning for latent representation is designed to employ the consistent information. Thirdly, an end-to-end framework is proposed to integrate multi-view missing values handling, multi-view representation learning and clustering assignment for joint optimization. Experiments compared with state-of-the-art approaches demonstrated the effectiveness and superiority of our method. Our code is publicly available at https://github.com/liunian-Jay/ICMVC.  ( 2 min )

In real-world scenarios classification models are often required to perform robustly when predicting samples belonging to classes that have not appeared during its training stage. Open Set Recognition addresses this issue by devising models capable of detecting unknown classes from samples arriving during the testing phase, while maintaining a good level of performance in the classification of samples belonging to known classes. This review comprehensively overviews the recent literature related to Open Set Recognition, identifying common practices, limitations, and connections of this field with other machine learning research areas, such as continual learning, out-of-distribution detection, novelty detection, and uncertainty estimation. Our work also uncovers open problems and suggests several research directions that may motivate and articulate future efforts towards more safe Artificial Intelligence methods.  ( 2 min )

Despite recent advancements in out-of-distribution (OOD) detection, most current studies assume a class-balanced in-distribution training dataset, which is rarely the case in real-world scenarios. This paper addresses the challenging task of long-tailed OOD detection, where the in-distribution data follows a long-tailed class distribution. The main difficulty lies in distinguishing OOD data from samples belonging to the tail classes, as the ability of a classifier to detect OOD instances is not strongly correlated with its accuracy on the in-distribution classes. To overcome this issue, we propose two simple ideas: (1) Expanding the in-distribution class space by introducing multiple abstention classes. This approach allows us to build a detector with clear decision boundaries by training on OOD data using virtual labels. (2) Augmenting the context-limited tail classes by overlaying images onto the context-rich OOD data. This technique encourages the model to pay more attention to the discriminative features of the tail classes. We provide a clue for separating in-distribution and OOD data by analyzing gradient noise. Through extensive experiments, we demonstrate that our method outperforms the current state-of-the-art on various benchmark datasets. Moreover, our method can be used as an add-on for existing long-tail learning approaches, significantly enhancing their OOD detection performance. Code is available at: https://github.com/Stomach-ache/Long-Tailed-OOD-Detection .  ( 2 min )

Knowledge distillation, a technique for model compression and performance enhancement, has gained significant traction in Neural Machine Translation (NMT). However, existing research primarily focuses on empirical applications, and there is a lack of comprehensive understanding of how student model capacity, data complexity, and decoding strategies collectively influence distillation effectiveness. Addressing this gap, our study conducts an in-depth investigation into these factors, particularly focusing on their interplay in word-level and sequence-level distillation within NMT. Through extensive experimentation across datasets like IWSLT13 En$\rightarrow$Fr, IWSLT14 En$\rightarrow$De, and others, we empirically validate hypotheses related to the impact of these factors on knowledge distillation. Our research not only elucidates the significant influence of model capacity, data complexity, and decoding strategies on distillation effectiveness but also introduces a novel, optimized distillation approach. This approach, when applied to the IWSLT14 de$\rightarrow$en translation task, achieves state-of-the-art performance, demonstrating its practical efficacy in advancing the field of NMT.  ( 2 min )

PELICAN is a novel permutation equivariant and Lorentz invariant or covariant aggregator network designed to overcome common limitations found in architectures applied to particle physics problems. Compared to many approaches that use non-specialized architectures that neglect underlying physics principles and require very large numbers of parameters, PELICAN employs a fundamentally symmetry group-based architecture that demonstrates benefits in terms of reduced complexity, increased interpretability, and raw performance. We present a comprehensive study of the PELICAN algorithm architecture in the context of both tagging (classification) and reconstructing (regression) Lorentz-boosted top quarks, including the difficult task of specifically identifying and measuring the $W$-boson inside the dense environment of the Lorentz-boosted top-quark hadronic final state. We also extend the application of PELICAN to the tasks of identifying quark-initiated vs.~gluon-initiated jets, and a multi-class identification across five separate target categories of jets. When tested on the standard task of Lorentz-boosted top-quark tagging, PELICAN outperforms existing competitors with much lower model complexity and high sample efficiency. On the less common and more complex task of 4-momentum regression, PELICAN also outperforms hand-crafted, non-machine learning algorithms. We discuss the implications of symmetry-restricted architectures for the wider field of machine learning for physics.

Although instance segmentation methods have improved considerably, the dominant paradigm is to rely on fully-annotated training images, which are tedious to obtain. To alleviate this reliance, and boost results, semi-supervised approaches leverage unlabeled data as an additional training signal that limits overfitting to the labeled samples. In this context, we present novel design choices to significantly improve teacher-student distillation models. In particular, we (i) improve the distillation approach by introducing a novel "guided burn-in" stage, and (ii) evaluate different instance segmentation architectures, as well as backbone networks and pre-training strategies. Contrary to previous work which uses only supervised data for the burn-in period of the student model, we also use guidance of the teacher model to exploit unlabeled data in the burn-in period. Our improved distillation approach leads to substantial improvements over previous state-of-the-art results. For example, on the Cityscapes dataset we improve mask-AP from 23.7 to 33.9 when using labels for 10\% of images, and on the COCO dataset we improve mask-AP from 18.3 to 34.1 when using labels for only 1\% of the training data.

We study how to extend the use of the diffusion model to answer the causal question from the observational data under the existence of unmeasured confounders. In Pearl's framework of using a Directed Acyclic Graph (DAG) to capture the causal intervention, a Diffusion-based Causal Model (DCM) was proposed incorporating the diffusion model to answer the causal questions more accurately, assuming that all of the confounders are observed. However, unmeasured confounders in practice exist, which hinders DCM from being applicable. To alleviate this limitation of DCM, we propose an extended model called Backdoor Criterion based DCM (BDCM), whose idea is rooted in the Backdoor criterion to find the variables in DAG to be included in the decoding process of the diffusion model so that we can extend DCM to the case with unmeasured confounders. Synthetic data experiment demonstrates that our proposed model captures the counterfactual distribution more precisely than DCM under the unmeasured confounders.

As machine learning models, specifically neural networks, are becoming increasingly popular, there are concerns regarding their trustworthiness, specially in safety-critical applications, e.g. actions of an autonomous vehicle must be safe. There are approaches that can train neural networks where such domain requirements are enforced as constraints, but they either cannot guarantee that the constraint will be satisfied by all possible predictions (even on unseen data) or they are limited in the type of constraints that can be enforced. In this paper, we present an approach to train neural networks which can enforce a wide variety of constraints and guarantee that the constraint is satisfied by all possible predictions. The approach builds on earlier work where learning linear models is formulated as a constraint satisfaction problem (CSP). To make this idea applicable to neural networks, two crucial new elements are added: constraint propagation over the network layers, and weight updates based on a mix of gradient descent and CSP solving. Evaluation on various machine learning tasks demonstrates that our approach is flexible enough to enforce a wide variety of domain constraints and is able to guarantee them in neural networks.

We investigate the problem of producing diverse solutions to an image super-resolution problem. From a probabilistic perspective, this can be done by sampling from the posterior distribution of an inverse problem, which requires the definition of a prior distribution on the high-resolution images. In this work, we propose to use a pretrained hierarchical variational autoencoder (HVAE) as a prior. We train a lightweight stochastic encoder to encode low-resolution images in the latent space of a pretrained HVAE. At inference, we combine the low-resolution encoder and the pretrained generative model to super-resolve an image. We demonstrate on the task of face super-resolution that our method provides an advantageous trade-off between the computational efficiency of conditional normalizing flows techniques and the sample quality of diffusion based methods.

The prediction of chemical reactions has gained significant interest within the machine learning community in recent years, owing to its complexity and crucial applications in chemistry. However, model evaluation for this task has been mostly limited to simple metrics like top-k accuracy, which obfuscates fine details of a model's limitations. Inspired by progress in other fields, we propose a new assessment scheme that builds on top of current approaches, steering towards a more holistic evaluation. We introduce the following key components for this goal: CHORISO, a curated dataset along with multiple tailored splits to recreate chemically relevant scenarios, and a collection of metrics that provide a holistic view of a model's advantages and limitations. Application of this method to state-of-the-art models reveals important differences on sensitive fronts, especially stereoselectivity and chemical out-of-distribution generalization. Our work paves the way towards robust prediction models that can ultimately accelerate chemical discovery.

Federated learning (FL) is a privacy-preserving collaboratively machine learning paradigm. Traditional FL requires all data owners (a.k.a. FL clients) to train the same local model. This design is not well-suited for scenarios involving data and/or system heterogeneity. Model-Heterogeneous Personalized FL (MHPFL) has emerged to address this challenge. Existing MHPFL approaches often rely on having a public dataset with the same nature of the learning task, or incur high computation and communication costs. To address these limitations, we propose the Federated Semantic Similarity Aggregation (FedSSA) approach, which splits each client's model into a heterogeneous (structure-different) feature extractor and a homogeneous (structure-same) classification header. It performs local-to-global knowledge transfer via semantic similarity-based header parameter aggregation. In addition, global-to-local knowledge transfer is achieved via an adaptive parameter stabilization strategy which fuses the seen-class parameters of historical local headers with that of the latest global header for each client. In this way, FedSSA does not rely on public datasets, while only requiring partial header parameter transmission (thereby saving costs). Theoretical analysis proves the convergence of FedSSA. Extensive experiments demonstrate that FedSSA achieves up to $3.62 \times\%$ higher accuracy, $15.54$ times higher communication efficiency, and $15.52 \times$ higher computational efficiency compared to 7 state-of-the-art MHPFL baselines.

Predictive Process Monitoring (PPM) aims at leveraging historic process execution data to predict how ongoing executions will continue up to their completion. In recent years, PPM techniques for the prediction of the next activities have matured significantly, mainly thanks to the use of Neural Networks (NNs) as a predictor. While their performance is difficult to beat in the general case, there are specific situations where background process knowledge can be helpful. Such knowledge can be leveraged for improving the quality of predictions for exceptional process executions or when the process changes due to a concept drift. In this paper, we present a Symbolic[Neuro] system that leverages background knowledge expressed in terms of a procedural process model to offset the under-sampling in the training data. More specifically, we make predictions using NNs with attention mechanism, an emerging technology in the NN field. The system has been tested on several real-life logs showing an improvement in the performance of the prediction task.

As corporations rush to integrate large language models (LLMs) to their search offerings, it is critical that they provide factually accurate information that is robust to any presuppositions that a user may express. In this work, we introduce UPHILL, a dataset consisting of health-related queries with varying degrees of presuppositions. Using UPHILL, we evaluate the factual accuracy and consistency of InstructGPT, ChatGPT, and BingChat models. We find that while model responses rarely disagree with true health claims (posed as questions), they often fail to challenge false claims: responses from InstructGPT agree with 32% of the false claims, ChatGPT 26% and BingChat 23%. As we increase the extent of presupposition in input queries, the responses from InstructGPT and ChatGPT agree with the claim considerably more often, regardless of its veracity. Responses from BingChat, which rely on retrieved webpages, are not as susceptible. Given the moderate factual accuracy, and the inability of models to consistently correct false assumptions, our work calls for a careful assessment of current LLMs for use in high-stakes scenarios.

In the acceleration of deep neural network training, the GPU has become the mainstream platform. GPUs face substantial challenges on GNNs, such as workload imbalance and memory access irregularities, leading to underutilized hardware. Existing solutions such as PyG, DGL with cuSPARSE, and GNNAdvisor frameworks partially address these challenges but memory traffic is still significant. We argue that drastic performance improvements can only be achieved by the vertical optimization of algorithm and system innovations, rather than treating the speedup optimization as an "after-thought" (i.e., (i) given a GNN algorithm, designing an accelerator, or (ii) given hardware, mainly optimizing the GNN algorithm). In this paper, we present MaxK-GNN, an advanced high-performance GPU training system integrating algorithm and system innovation. (i) We introduce the MaxK nonlinearity and provide a theoretical analysis of MaxK nonlinearity as a universal approximator, and present the Compressed Balanced Sparse Row (CBSR) format, designed to store the data and index of the feature matrix after nonlinearity; (ii) We design a coalescing enhanced forward computation with row-wise product-based SpGEMM Kernel using CBSR for input feature matrix fetching and strategic placement of a sparse output accumulation buffer in shared memory; (iii) We develop an optimized backward computation with outer product-based and SSpMM Kernel. We conduct extensive evaluations of MaxK-GNN and report the end-to-end system run-time. Experiments show that MaxK-GNN system could approach the theoretical speedup limit according to Amdahl's law. We achieve comparable accuracy to SOTA GNNs, but at a significantly increased speed: 3.22/4.24 times speedup (vs. theoretical limits, 5.52/7.27 times) on Reddit compared to DGL and GNNAdvisor implementations.  ( 3 min )

Offshore wind farms represent a renewable energy source with a significant global growth trend, and their monitoring is strategic for territorial and environmental planning. This study's primary objective is to detect offshore wind plants at an instance level using semantic segmentation models and Sentinel-1 time series. The secondary objectives are: (a) to develop a database consisting of labeled data and S-1 time series; (b) to compare the performance of five deep semantic segmentation architectures (U-Net, U-Net++, Feature Pyramid Network - FPN, DeepLabv3+, and LinkNet); (c) develop a novel augmentation strategy that shuffles the positions of the images within the time series; (d) investigate different dimensions of time series intervals (1, 5, 10, and 15 images); and (e) evaluate the semantic-to-instance conversion procedure. LinkNet was the top-performing model, followed by U-Net++ and U-Net, while FPN and DeepLabv3+ presented the worst results. The evaluation of semantic segmentation models reveals enhanced Intersection over Union (IoU) (25%) and F-score metrics (18%) with the augmentation of time series images. The study showcases the augmentation strategy's capability to mitigate biases and precisely detect invariant targets. Furthermore, the conversion from semantic to instance segmentation demonstrates its efficacy in accurately isolating individual instances within classified regions - simplifying training data and reducing annotation effort and complexity.  ( 3 min )

Humanoid robots will be able to assist humans in their daily life, in particular due to their versatile action capabilities. However, while these robots need a certain degree of autonomy to learn and explore, they also should respect various constraints, for access control and beyond. We explore the novel field of incorporating privacy, security, and access control constraints with robot task planning approaches. We report preliminary results on the classical symbolic approach, deep-learned neural networks, and modern ideas using large language models as knowledge base. From analyzing their trade-offs, we conclude that a hybrid approach is necessary, and thereby present a new use case for the emerging field of neuro-symbolic artificial intelligence.  ( 2 min )

Disentangled Graph Convolutional Network (DisenGCN) is an encouraging framework to disentangle the latent factors arising in a real-world graph. However, it relies on disentangling information heavily from a local range (i.e., a node and its 1-hop neighbors), while the local information in many cases can be uneven and incomplete, hindering the interpretabiliy power and model performance of DisenGCN. In this paper\footnote{This paper is a lighter version of \href{https://jingweio.github.io/assets/pdf/tnnls22.pdf}{"Learning Disentangled Graph Convolutional Networks Locally and Globally"} where the results and analysis have been reworked substantially. Digital Object Identifier \url{https://doi.org/10.1109/TNNLS.2022.3195336}.}, we introduce a novel Local and Global Disentangled Graph Convolutional Network (LGD-GCN) to capture both local and global information for graph disentanglement. LGD-GCN performs a statistical mixture modeling to derive a factor-aware latent continuous space, and then constructs different structures w.r.t. different factors from the revealed space. In this way, the global factor-specific information can be efficiently and selectively encoded via a message passing along these built structures, strengthening the intra-factor consistency. We also propose a novel diversity promoting regularizer employed with the latent space modeling, to encourage inter-factor diversity. Evaluations of the proposed LGD-GCN on the synthetic and real-world datasets show a better interpretability and improved performance in node classification over the existing competitive models. Code is available at \url{https://github.com/jingweio/LGD-GCN}.  ( 3 min )

Mosquito-borne diseases present considerable risks to the health of both animals and humans. Aedes aegypti mosquitoes are the primary vectors for numerous medically important viruses such as dengue, Zika, yellow fever, and chikungunya. To characterize this mosquito neural activity, it is essential to classify the generated electrical spikes. However, no open-source neural spike classification method is currently available for mosquitoes. Our work presented in this paper provides an innovative artificial intelligence-based method to classify the neural spikes in uninfected, dengue-infected, and Zika-infected mosquitoes. Aiming for outstanding performance, the method employs a fusion of normalization, feature importance, and dimension reduction for the preprocessing and combines convolutional neural network and extra gradient boosting (XGBoost) for classification. The method uses the electrical spiking activity data of mosquito neurons recorded by microelectrode array technology. We used data from 0, 1, 2, 3, and 7 days post-infection, containing over 15 million samples, to analyze the method's performance. The performance of the proposed method was evaluated using accuracy, precision, recall, and the F1 scores. The results obtained from the method highlight its remarkable performance in differentiating infected vs uninfected mosquito samples, achieving an average of 98.1%. The performance was also compared with 6 other machine learning algorithms to further assess the method's capability. The method outperformed all other machine learning algorithms' performance. Overall, this research serves as an efficient method to classify the neural spikes of Aedes aegypti mosquitoes and can assist in unraveling the complex interactions between pathogens and mosquitoes.  ( 3 min )

Knowledge Distillation (KD) emerges as one of the most promising compression technologies to run advanced deep neural networks on resource-limited devices. In order to train a small network (student) under the guidance of a large network (teacher), the intuitive method is regularizing the feature maps or logits of the student using the teacher's information. However, existing methods either over-restrict the student to learn all information from the teacher, which lead to some bad local minimum, or use various fancy and elaborate modules to process and align features, which are complex and lack generality. In this work, we proposed an abstract and general paradigm for the KD task, referred to as DIMensionality Reduction KD (RdimKD), which solely relies on dimensionality reduction, with a very minor modification to naive L2 loss. RdimKD straightforwardly utilizes a projection matrix to project both the teacher's and student's feature maps onto a low-dimensional subspace, which are then optimized during training. RdimKD achieves the goal in the simplest way that not only does the student get valuable information from the teacher, but it also ensures sufficient flexibility to adapt to the student's low-capacity reality. Our extensive empirical findings indicate the effectiveness of RdimKD across various learning tasks and diverse network architectures.  ( 2 min )

Proper scoring rules evaluate the quality of probabilistic predictions, playing an essential role in the pursuit of accurate and well-calibrated models. Every proper score decomposes into two fundamental components -- proper calibration error and refinement -- utilizing a Bregman divergence. While uncertainty calibration has gained significant attention, current literature lacks a general estimator for these quantities with known statistical properties. To address this gap, we propose a method that allows consistent, and asymptotically unbiased estimation of all proper calibration errors and refinement terms. In particular, we introduce Kullback--Leibler calibration error, induced by the commonly used cross-entropy loss. As part of our results, we prove the relation between refinement and f-divergences, which implies information monotonicity in neural networks, regardless of which proper scoring rule is optimized. Our experiments validate empirically the claimed properties of the proposed estimator and suggest that the selection of a post-hoc calibration method should be determined by the particular calibration error of interest.  ( 2 min )

This paper addresses an uplink localization problem in which a base station (BS) aims to locate a remote user with the help of reconfigurable intelligent surfaces (RISs). We propose a strategy in which the user transmits pilots sequentially and the BS adaptively adjusts the sensing vectors, including the BS beamforming vector and multiple RIS reflection coefficients based on the observations already made, to eventually produce an estimated user position. This is a challenging active sensing problem for which finding an optimal solution involves searching through a complicated functional space whose dimension increases with the number of measurements. We show that the long short-term memory (LSTM) network can be used to exploit the latent temporal correlation between measurements to automatically construct scalable state vectors. Subsequently, the state vector is mapped to the sensing vectors for the next time frame via a deep neural network (DNN). A final DNN is used to map the state vector to the estimated user position. Numerical result illustrates the advantage of the active sensing design as compared to non-active sensing methods. The proposed solution produces interpretable results and is generalizable in the number of sensing stages. Remarkably, we show that a network with one BS and multiple RISs can outperform a comparable setting with multiple BSs.  ( 2 min )

Prompt learning has emerged as an effective and data-efficient technique in large Vision-Language Models (VLMs). However, when adapting VLMs to specialized domains such as remote sensing and medical imaging, domain prompt learning remains underexplored. While large-scale domain-specific foundation models can help tackle this challenge, their concentration on a single vision level makes it challenging to prompt both vision and language modalities. To overcome this, we propose to leverage domain-specific knowledge from domain-specific foundation models to transfer the robust recognition ability of VLMs from generalized to specialized domains, using quaternion networks. Specifically, the proposed method involves using domain-specific vision features from domain-specific foundation models to guide the transformation of generalized contextual embeddings from the language branch into a specialized space within the quaternion networks. Moreover, we present a hierarchical approach that generates vision prompt features by analyzing intermodal relationships between hierarchical language prompt features and domain-specific vision features. In this way, quaternion networks can effectively mine the intermodal relationships in the specific domain, facilitating domain-specific vision-language contrastive learning. Extensive experiments on domain-specific datasets show that our proposed method achieves new state-of-the-art results in prompt learning.  ( 2 min )

This paper proposes a cyber-physical architecture for the secured social operation of isolated hybrid microgrids (HMGs). On the physical side of the proposed architecture, an optimal scheduling scheme considering various renewable energy sources (RESs) and fossil fuel-based distributed generation units (DGs) is proposed. Regarding the cyber layer of MGs, a wireless architecture based on low range wide area (LORA) technology is introduced for advanced metering infrastructure (AMI) in smart electricity grids. In the proposed architecture, the LORA data frame is described in detail and designed for the application of smart meters considering DGs and ac-dc converters. Additionally, since the cyber layer of smart grids is highly vulnerable to cyber-attacks, t1his paper proposes a deep-learning-based cyber-attack detection model (CADM) based on bidirectional long short-term memory (BLSTM) and sequential hypothesis testing (SHT) to detect false data injection attacks (FDIA) on the smart meters within AMI. The performance of the proposed energy management architecture is evaluated using the IEEE 33-bus test system. In order to investigate the effect of FDIA on the isolated HMGs and highlight the interactions between the cyber layer and physical layer, an FDIA is launched against the test system. The results showed that a successful attack can highly damage the system and cause widespread load shedding. Also, the performance of the proposed CADM is examined using a real-world dataset. Results prove the effectiveness of the proposed CADM in detecting the attacks using only two samples.  ( 3 min )

In our contemporary academic inquiry, we present "Diffusion-C," a foundational methodology to analyze the generative restrictions of Diffusion Models, particularly those akin to GANs, DDPM, and DDIM. By employing input visual data that has been subjected to a myriad of corruption modalities and intensities, we elucidate the performance characteristics of those Diffusion Models. The noise component takes center stage in our analysis, hypothesized to be a pivotal element influencing the mechanics of deep learning systems. In our rigorous expedition utilizing Diffusion-C, we have discerned the following critical observations: (I) Within the milieu of generative models under the Diffusion taxonomy, DDPM emerges as a paragon, consistently exhibiting superior performance metrics. (II) Within the vast spectrum of corruption frameworks, the fog and fractal corruptions notably undermine the functional robustness of both DDPM and DDIM. (III) The vulnerability of Diffusion Models to these particular corruptions is significantly influenced by topological and statistical similarities, particularly concerning the alignment between mean and variance. This scholarly work highlights Diffusion-C's core understandings regarding the impacts of various corruptions, setting the stage for future research endeavors in the realm of generative models.  ( 2 min )

In continual learning, networks confront a trade-off between stability and plasticity when trained on a sequence of tasks. To bolster plasticity without sacrificing stability, we propose a novel training algorithm called LRFR. This approach optimizes network parameters in the null space of the past tasks' feature representation matrix to guarantee the stability. Concurrently, we judiciously select only a subset of neurons in each layer of the network while training individual tasks to learn the past tasks' feature representation matrix in low-rank. This increases the null space dimension when designing network parameters for subsequent tasks, thereby enhancing the plasticity. Using CIFAR-100 and TinyImageNet as benchmark datasets for continual learning, the proposed approach consistently outperforms state-of-the-art methods.  ( 2 min )

We propose HAROOD as a short-range FMCW radar-based human activity classifier and out-of-distribution (OOD) detector. It aims to classify human sitting, standing, and walking activities and to detect any other moving or stationary object as OOD. We introduce a two-stage network. The first stage is trained with a novel loss function that includes intermediate reconstruction loss, intermediate contrastive loss, and triplet loss. The second stage uses the first stage's output as its input and is trained with cross-entropy loss. It creates a simple classifier that performs the activity classification. On our dataset collected by 60 GHz short-range FMCW radar, we achieve an average classification accuracy of 96.51%. Also, we achieve an average AUROC of 95.04% as an OOD detector. Additionally, our extensive evaluations demonstrate the superiority of HAROOD over the state-of-the-art OOD detection methods in terms of standard OOD detection metrics.  ( 2 min )

In this paper, a novel artificial intelligence-based cyber-attack detection model for smart grids is developed to stop data integrity cyber-attacks (DIAs) on the received load data by supervisory control and data acquisition (SCADA). In the proposed model, first the load data is forecasted using a regression model and after processing stage, the processed data is clustered using the unsupervised learning method. In this work, in order to achieve the best performance, three load forecasting methods (i.e. extra tree regression (ETR), long short-term memory (LSTM) and bidirectional long short-term memory (BiLSTM)) are utilized as regression models and their performance is compared. For clustering and outlying detection, the covariance elliptic envelope (EE) is employed as an unsupervised learning method. To examine the proposed model, the hourly load data of the power company of the city of Johor in Malaysia is employed and Two common DIAs, which are DIAs targeting economic loss and DIAs targeting blackouts, are used to evaluate the accuracy of detection methods in several scenarios. The simulation results show that the proposed EE-BiLSTM method can perform more robust and accurate compared to the other two methods.  ( 2 min )

In the field of intracity freight transportation, changes in order volume are significantly influenced by temporal and spatial factors. When building subsidy and pricing strategies, predicting the causal effects of these strategies on order volume is crucial. In the process of calculating causal effects, confounding variables can have an impact. Traditional methods to control confounding variables handle data from a holistic perspective, which cannot ensure the precision of causal effects in specific temporal and spatial dimensions. However, temporal and spatial dimensions are extremely critical in the logistics field, and this limitation may directly affect the precision of subsidy and pricing strategies. To address these issues, this study proposes a technique based on flexible temporal-spatial grid partitioning. Furthermore, based on the flexible grid partitioning technique, we further propose a continuous entropy balancing method in the temporal-spatial domain, which named TS-EBCT (Temporal-Spatial Entropy Balancing for Causal Continue Treatments). The method proposed in this paper has been tested on two simulation datasets and two real datasets, all of which have achieved excellent performance. In fact, after applying the TS-EBCT method to the intracity freight transportation field, the prediction accuracy of the causal effect has been significantly improved. It brings good business benefits to the company's subsidy and pricing strategies.  ( 3 min )

We address the Continual Learning (CL) problem, where a model has to learn a sequence of tasks from non-stationary distributions while preserving prior knowledge as it encounters new experiences. With the advancement of foundation models, CL research has shifted focus from the initial learning-from-scratch paradigm to the use of generic features from large-scale pre-training. However, existing approaches to CL with pre-trained models only focus on separating the class-specific features from the final representation layer and neglect the power of intermediate representations that capture low- and mid-level features naturally more invariant to domain shifts. In this work, we propose LayUP, a new class-prototype-based approach to continual learning that leverages second-order feature statistics from multiple intermediate layers of a pre-trained network. Our method is conceptually simple, does not require any replay buffer, and works out of the box with any foundation model. LayUP improves over the state-of-the-art on four of the seven class-incremental learning settings at a considerably reduced memory and computational footprint compared with the next best baseline. Our results demonstrate that fully exhausting the representational capacities of pre-trained models in CL goes far beyond their final embeddings.  ( 2 min )

The alignment of autonomous agents with human values is a pivotal challenge when deploying these agents within physical environments, where safety is an important concern. However, defining the agent's objective as a reward and/or cost function is inherently complex and prone to human errors. In response to this challenge, we present a novel approach that leverages one-class decision trees to facilitate learning from expert demonstrations. These decision trees provide a foundation for representing a set of constraints pertinent to the given environment as a logical formula in disjunctive normal form. The learned constraints are subsequently employed within an oracle constrained reinforcement learning framework, enabling the acquisition of a safe policy. In contrast to other methods, our approach offers an interpretable representation of the constraints, a vital feature in safety-critical environments. To validate the effectiveness of our proposed method, we conduct experiments in synthetic benchmark domains and a realistic driving environment.  ( 2 min )

Deep Reinforcement Learning (DRL) has achieved remarkable advances in sequential decision tasks. However, recent works have revealed that DRL agents are susceptible to slight perturbations in observations. This vulnerability raises concerns regarding the effectiveness and robustness of deploying such agents in real-world applications. In this work, we propose a novel robust reinforcement learning method called SortRL, which improves the robustness of DRL policies against observation perturbations from the perspective of the network architecture. We employ a novel architecture for the policy network that incorporates global $l_\infty$ Lipschitz continuity and provide a convenient method to enhance policy robustness based on the output margin. Besides, a training framework is designed for SortRL, which solves given tasks while maintaining robustness against $l_\infty$ bounded perturbations on the observations. Several experiments are conducted to evaluate the effectiveness of our method, including classic control tasks and video games. The results demonstrate that SortRL achieves state-of-the-art robustness performance against different perturbation strength.  ( 2 min )

End-to-end generation of musical audio using deep learning techniques has seen an explosion of activity recently. However, most models concentrate on generating fully mixed music in response to abstract conditioning information. In this work, we present an alternative paradigm for producing music generation models that can listen and respond to musical context. We describe how such a model can be constructed using a non-autoregressive, transformer-based model architecture and present a number of novel architectural and sampling improvements. We train the described architecture on both an open-source and a proprietary dataset. We evaluate the produced models using standard quality metrics and a new approach based on music information retrieval descriptors. The resulting model reaches the audio quality of state-of-the-art text-conditioned models, as well as exhibiting strong musical coherence with its context.  ( 2 min )

In this paper, we investigate the following question: Can we obtain adversarially-trained models without training on adversarial examples? Our intuition is that training a model with inherent stochasticity, i.e., optimizing the parameters by minimizing a stochastic loss function, yields a robust expectation function that is non-stochastic. In contrast to related methods that introduce noise at the input level, our proposed approach incorporates inherent stochasticity by embedding Gaussian noise within the layers of the NN model at training time. We model the propagation of noise through the layers, introducing a closed-form stochastic loss function that encapsulates a noise variance parameter. Additionally, we contribute a formalized noise-aware gradient, enabling the optimization of model parameters while accounting for stochasticity. Our experimental results confirm that the expectation model of a stochastic architecture trained on benign distribution is adversarially robust. Interestingly, we find that the impact of the applied Gaussian noise's standard deviation on both robustness and baseline accuracy closely mirrors the impact of the noise magnitude employed in adversarial training. Our work contributes adversarially trained networks using a completely different approach, with empirically similar robustness to adversarial training.  ( 2 min )

To meet the demands for more adaptable and expedient approaches to augment both research and manufacturing, we report an autonomous system using real-time in-situ characterization and an autonomous, decision-making processer based on an active learning algorithm. This system was applied to a plastic film forming system to highlight its efficiency and accuracy in determining the process conditions for specified target film dimensions, importantly, without any human intervention. Application of this system towards nine distinct film dimensions demonstrated the system ability to quickly determine the appropriate and stable process conditions (average 11 characterization-adjustment iterations, 19 minutes) and the ability to avoid traps, such as repetitive over-correction. Furthermore, comparison of the achieved film dimensions to the target values showed a high accuracy (R2 = 0.87, 0.90) for film width and thickness, respectively. In addition, the use of an active learning algorithm afforded our system to proceed optimization with zero initial training data, which was unavailable due to the complex relationships between the control factors (material supply rate, applied force, material viscosity) within the plastic forming process. As our system is intrinsically general and can be applied to any most material processes, these results have significant implications in accelerating both research and industrial processes.  ( 3 min )

We give a stochastic optimization algorithm that solves a dense $n\times n$ real-valued linear system $Ax=b$, returning $\tilde x$ such that $\|A\tilde x-b\|\leq \epsilon\|b\|$ in time: $$\tilde O((n^2+nk^{\omega-1})\log1/\epsilon),$$ where $k$ is the number of singular values of $A$ larger than $O(1)$ times its smallest positive singular value, $\omega < 2.372$ is the matrix multiplication exponent, and $\tilde O$ hides a poly-logarithmic in $n$ factor. When $k=O(n^{1-\theta})$ (namely, $A$ has a flat-tailed spectrum, e.g., due to noisy data or regularization), this improves on both the cost of solving the system directly, as well as on the cost of preconditioning an iterative method such as conjugate gradient. In particular, our algorithm has an $\tilde O(n^2)$ runtime when $k=O(n^{0.729})$. We further adapt this result to sparse positive semidefinite matrices and least squares regression. Our main algorithm can be viewed as a randomized block coordinate descent method, where the key challenge is simultaneously ensuring good convergence and fast per-iteration time. In our analysis, we use theory of majorization for elementary symmetric polynomials to establish a sharp convergence guarantee when coordinate blocks are sampled using a determinantal point process. We then use a Markov chain coupling argument to show that similar convergence can be attained with a cheaper sampling scheme, and accelerate the block coordinate descent update via matrix sketching.  ( 2 min )

We introduce a novel policy learning method that integrates analytical gradients from differentiable environments with the Proximal Policy Optimization (PPO) algorithm. To incorporate analytical gradients into the PPO framework, we introduce the concept of an {\alpha}-policy that stands as a locally superior policy. By adaptively modifying the {\alpha} value, we can effectively manage the influence of analytical policy gradients during learning. To this end, we suggest metrics for assessing the variance and bias of analytical gradients, reducing dependence on these gradients when high variance or bias is detected. Our proposed approach outperforms baseline algorithms in various scenarios, such as function optimization, physics simulations, and traffic control environments. Our code can be found online: https://github.com/SonSang/gippo.  ( 2 min )

Self-supervised Multi-modal Contrastive Learning (SMCL) remarkably advances modern Vision-Language Pre-training (VLP) models by aligning visual and linguistic modalities. Due to noises in web-harvested text-image pairs, however, scaling up training data volume in SMCL presents considerable obstacles in terms of computational cost and data inefficiency. To improve data efficiency in VLP, we propose Text-aware Image Mixing (TiMix), which integrates mix-based data augmentation techniques into SMCL, yielding significant performance improvements without significantly increasing computational overhead. We provide a theoretical analysis of TiMixfrom a mutual information (MI) perspective, showing that mixed data samples for cross-modal contrastive learning implicitly serve as a regularizer for the contrastive loss. The experimental results demonstrate that TiMix exhibits a comparable performance on downstream tasks, even with a reduced amount of training data and shorter training time, when benchmarked against existing methods. This work empirically and theoretically demonstrates the potential of data mixing for data-efficient and computationally viable VLP, benefiting broader VLP model adoption in practical scenarios.  ( 2 min )

Privacy preserving has become increasingly critical with the emergence of social media. Unlearnable examples have been proposed to avoid leaking personal information on the Internet by degrading generalization abilities of deep learning models. However, our study reveals that unlearnable examples are easily detectable. We provide theoretical results on linear separability of certain unlearnable poisoned dataset and simple network based detection methods that can identify all existing unlearnable examples, as demonstrated by extensive experiments. Detectability of unlearnable examples with simple networks motivates us to design a novel defense method. We propose using stronger data augmentations coupled with adversarial noises generated by simple networks, to degrade the detectability and thus provide effective defense against unlearnable examples with a lower cost. Adversarial training with large budgets is a widely-used defense method on unlearnable examples. We establish quantitative criteria between the poison and adversarial budgets which determine the existence of robust unlearnable examples or the failure of the adversarial defense.  ( 2 min )

In the face of dataset shift, model calibration plays a pivotal role in ensuring the reliability of machine learning systems. Calibration error (CE) is an indicator of the alignment between the predicted probabilities and the classifier accuracy. While prior works have delved into the implications of dataset shift on calibration, existing CE estimators assume access to labels from the target domain, which are often unavailable in practice, i.e., when the model is deployed and used. This work addresses such challenging scenario, and proposes a novel CE estimator under label shift, which is characterized by changes in the marginal label distribution $p(Y)$, while keeping the conditional $p(X|Y)$ constant between the source and target distributions. Our contribution is an approach, which, by leveraging importance re-weighting of the labeled source distribution, provides consistent and asymptotically unbiased CE estimation with respect to the shifted target distribution. Empirical results across diverse real-world datasets, under various conditions and label-shift intensities, demonstrate the effectiveness and reliability of the proposed estimator.  ( 2 min )

Accurate climate projections are required for climate adaptation and mitigation. Earth system model simulations, used to project climate change, inherently make approximations in their representation of small-scale physical processes, such as the formation of clouds, that are at the root of the uncertainties in global mean temperature's response to increased greenhouse gas concentrations. Several approaches have been developed to use historical observations to constrain future projections and reduce uncertainties in climate projections and climate feedbacks. Yet those methods cannot capture the non-linear complexity inherent in the climate system. Using a Transfer Learning approach, we show that Machine Learning, in particular Deep Neural Networks, can be used to optimally leverage and merge the knowledge gained from Earth system model simulations and historical observations to more accurately project global surface temperature fields in the 21st century. We reach a reduction in the 5-95% uncertainty range of global surface air temperature in 2081-2098 of up to 56% and 52% - across the Shared Socioeconomic Pathways considered - with respect to state-of-the-art approaches and the Sixth Assessment Report from the Intergovernmental Panel on Climate Change, respectively. We give evidence that our novel method provides narrower multi-model uncertainty together with more accurate climate projections, urgently required for climate adaptation.  ( 2 min )

Continuous Conditional Generative Adversarial Networks (CcGANs) enable generative modeling conditional on continuous scalar variables (termed regression labels). However, they can produce subpar fake images due to limited training data. Although Negative Data Augmentation (NDA) effectively enhances unconditional and class-conditional GANs by introducing anomalies into real training images, guiding the GANs away from low-quality outputs, its impact on CcGANs is limited, as it fails to replicate negative samples that may occur during the CcGAN sampling. We present a novel NDA approach called Dual-NDA specifically tailored for CcGANs to address this problem. Dual-NDA employs two types of negative samples: visually unrealistic images generated from a pre-trained CcGAN and label-inconsistent images created by manipulating real images' labels. Leveraging these negative samples, we introduce a novel discriminator objective alongside a modified CcGAN training algorithm. Empirical analysis on UTKFace and Steering Angle reveals that Dual-NDA consistently enhances the visual fidelity and label consistency of fake images generated by CcGANs, exhibiting a substantial performance gain over the vanilla NDA. Moreover, by applying Dual-NDA, CcGANs demonstrate a remarkable advancement beyond the capabilities of state-of-the-art conditional GANs and diffusion models, establishing a new pinnacle of performance. Our codes can be found at https://github.com/UBCDingXin/Dual-NDA.  ( 2 min )

Due to the widespread availability of data, machine learning (ML) algorithms are increasingly being implemented in distributed topologies, wherein various nodes collaborate to train ML models via the coordination of a central server. However, distributed learning approaches face significant vulnerabilities, primarily stemming from two potential threats. Firstly, the presence of Byzantine nodes poses a risk of corrupting the learning process by transmitting inaccurate information to the server. Secondly, a curious server may compromise the privacy of individual nodes, sometimes reconstructing the entirety of the nodes' data. Homomorphic encryption (HE) has emerged as a leading security measure to preserve privacy in distributed learning under non-Byzantine scenarios. However, the extensive computational demands of HE, particularly for high-dimensional ML models, have deterred attempts to design purely homomorphic operators for non-linear robust aggregators. This paper introduces SABLE, the first homomorphic and Byzantine robust distributed learning algorithm. SABLE leverages HTS, a novel and efficient homomorphic operator implementing the prominent coordinate-wise trimmed mean robust aggregator. Designing HTS enables us to implement HMED, a novel homomorphic median aggregator. Extensive experiments on standard ML tasks demonstrate that SABLE achieves practical execution times while maintaining an ML accuracy comparable to its non-private counterpart.  ( 2 min )

We introduce EV3, a novel meta-optimization framework designed to efficiently train scalable machine learning models through an intuitive explore-assess-adapt protocol. In each iteration of EV3, we explore various model parameter updates, assess them using pertinent evaluation methods, and then adapt the model based on the optimal updates and previous progress history. EV3 offers substantial flexibility without imposing stringent constraints like differentiability on the key objectives relevant to the tasks of interest, allowing for exploratory updates with intentionally-biased gradients and through a diversity of losses and optimizers. Additionally, the assessment phase provides reliable safety controls to ensure robust generalization, and can dynamically prioritize tasks in scenarios with multiple objectives. With inspiration drawn from evolutionary algorithms, meta-learning, and neural architecture search, we investigate an application of EV3 to knowledge distillation. Our experimental results illustrate EV3's capability to safely explore the modeling landscape, while hinting at its potential applicability across numerous domains due to its inherent flexibility and adaptability. Finally, we provide a JAX implementation of EV3, along with source code for experiments, available at: https://github.com/google-research/google-research/tree/master/ev3.  ( 2 min )

Many neural network architectures have been shown to be Turing Complete, and can thus implement arbitrary algorithms. However, Transformers are unique in that they can implement gradient-based learning algorithms \emph{under simple parameter configurations}. A line of recent work shows that linear Transformers naturally learn to implement gradient descent (GD) when trained on a linear regression in-context learning task. But the linearity assumption (either in the Transformer architecture or in the learning task) is far from realistic settings where non-linear activations crucially enable Transformers to learn complicated non-linear functions. In this paper, we provide theoretical and empirical evidence that non-linear Transformers can, and \emph{in fact do}, learn to implement learning algorithms to learn non-linear functions in context. Our results apply to a broad class of combinations of non-linear architectures, and non-linear in-context learning tasks. Interestingly, we show that the optimal choice of non-linear activation depends in a natural way on the non-linearity of the learning task.  ( 2 min )

The rapid development of large-scale deep learning models questions the affordability of hardware platforms, which necessitates the pruning to reduce their computational and memory footprints. Sparse neural networks as the product, have demonstrated numerous favorable benefits like low complexity, undamaged generalization, etc. Most of the prominent pruning strategies are invented from a model-centric perspective, focusing on searching and preserving crucial weights by analyzing network topologies. However, the role of data and its interplay with model-centric pruning has remained relatively unexplored. In this research, we introduce a novel data-model co-design perspective: to promote superior weight sparsity by learning important model topology and adequate input data in a synergetic manner. Specifically, customized Visual Prompts are mounted to upgrade neural Network sparsification in our proposed VPNs framework. As a pioneering effort, this paper conducts systematic investigations about the impact of different visual prompts on model pruning and suggests an effective joint optimization approach. Extensive experiments with 3 network architectures and 8 datasets evidence the substantial performance improvements from VPNs over existing start-of-the-art pruning algorithms. Furthermore, we find that subnetworks discovered by VPNs from pre-trained models enjoy better transferability across diverse downstream scenarios. These insights shed light on new promising possibilities of data-model co-designs for vision model sparsification.  ( 2 min )

Melanoma is a type of cancer that begins in the cells controlling the pigment of the skin, and it is often referred to as the most dangerous skin cancer. Diagnosing melanoma can be time-consuming, and a recent increase in melanoma incidents indicates a growing demand for a more efficient diagnostic process. This paper presents a pipeline for melanoma diagnostics, leveraging two convolutional neural networks, a diagnosis, and a prognosis model. The diagnostic model is responsible for localizing malignant patches across whole slide images and delivering a patient-level diagnosis as malignant or benign. Further, the prognosis model utilizes the diagnostic model's output to provide a patient-level prognosis as good or bad. The full pipeline has an F1 score of 0.79 when tested on data from the same distribution as it was trained on.  ( 2 min )

Discrimination can occur when the underlying unbiased labels are overwritten by an agent with potential bias, resulting in biased datasets that unfairly harm specific groups and cause classifiers to inherit these biases. In this paper, we demonstrate that despite only having access to the biased labels, it is possible to eliminate bias by filtering the fairest instances within the framework of confident learning. In the context of confident learning, low self-confidence usually indicates potential label errors; however, this is not always the case. Instances, particularly those from underrepresented groups, might exhibit low confidence scores for reasons other than labeling errors. To address this limitation, our approach employs truncation of the confidence score and extends the confidence interval of the probabilistic threshold. Additionally, we incorporate with co-teaching paradigm for providing a more robust and reliable selection of fair instances and effectively mitigating the adverse effects of biased labels. Through extensive experimentation and evaluation of various datasets, we demonstrate the efficacy of our approach in promoting fairness and reducing the impact of label bias in machine learning models.  ( 2 min )

Financial sentiment analysis plays a crucial role in uncovering latent patterns and detecting emerging trends, enabling individuals to make well-informed decisions that may yield substantial advantages within the constantly changing realm of finance. Recently, Large Language Models (LLMs) have demonstrated their effectiveness in diverse domains, showcasing remarkable capabilities even in zero-shot and few-shot in-context learning for various Natural Language Processing (NLP) tasks. Nevertheless, their potential and applicability in the context of financial sentiment analysis have not been thoroughly explored yet. To bridge this gap, we employ two approaches: in-context learning (with a focus on gpt-3.5-turbo model) and fine-tuning LLMs on a finance-domain dataset. Given the computational costs associated with fine-tuning LLMs with large parameter sizes, our focus lies on smaller LLMs, spanning from 250M to 3B parameters for fine-tuning. We then compare the performances with state-of-the-art results to evaluate their effectiveness in the finance-domain. Our results demonstrate that fine-tuned smaller LLMs can achieve comparable performance to state-of-the-art fine-tuned LLMs, even with models having fewer parameters and a smaller training dataset. Additionally, the zero-shot and one-shot performance of LLMs produces comparable results with fine-tuned smaller LLMs and state-of-the-art outcomes. Furthermore, our analysis demonstrates that there is no observed enhancement in performance for finance-domain sentiment analysis when the number of shots for in-context learning is increased.  ( 2 min )

Geometric deep learning extends deep learning to incorporate information about the geometry and topology data, especially in complex domains like graphs. Despite the popularity of message passing in this field, it has limitations such as the need for graph rewiring, ambiguity in interpreting data, and over-smoothing. In this paper, we take a different approach, focusing on leveraging geometric information from simplicial complexes embedded in $\mathbb{R}^n$ using node coordinates. We use differential k-forms in \mathbb{R}^n to create representations of simplices, offering interpretability and geometric consistency without message passing. This approach also enables us to apply differential geometry tools and achieve universal approximation. Our method is efficient, versatile, and applicable to various input complexes, including graphs, simplicial complexes, and cell complexes. It outperforms existing message passing neural networks in harnessing information from geometrical graphs with node features serving as coordinates.  ( 2 min )

We examine a private ADMM variant for (strongly) convex objectives which is a primal-dual iterative method. Each iteration has a user with a private function used to update the primal variable, masked by Gaussian noise for local privacy, without directly adding noise to the dual variable. Privacy amplification by iteration explores if noises from later iterations can enhance the privacy guarantee when releasing final variables after the last iteration. Cyffers et al. [ICML 2023] explored privacy amplification by iteration for the proximal ADMM variant, where a user's entire private function is accessed and noise is added to the primal variable. In contrast, we examine a private ADMM variant requiring just one gradient access to a user's function, but both primal and dual variables must be passed between successive iterations. To apply Balle et al.'s [NeurIPS 2019] coupling framework to the gradient ADMM variant, we tackle technical challenges with novel ideas. First, we address the non-expansive mapping issue in ADMM iterations by using a customized norm. Second, because the dual variables are not masked with any noise directly, their privacy guarantees are achieved by treating two consecutive noisy ADMM iterations as a Markov operator. Our main result is that the privacy guarantee for the gradient ADMM variant can be amplified proportionally to the number of iterations. For strongly convex objective functions, this amplification exponentially increases with the number of iterations. These amplification results align with the previously studied special case of stochastic gradient descent.  ( 3 min )

Graph Neural Networks (GNNs) have paved its way for being a cornerstone in graph related learning tasks. From a theoretical perspective, the expressive power of GNNs is primarily characterised according to their ability to distinguish non-isomorphic graphs. It is a well-known fact that most of the conventional GNNs are upper-bounded by Weisfeiler-Lehman graph isomorphism test (1-WL). In this work, we study the expressive power of graph neural networks through the lens of graph partitioning. This follows from our observation that permutation invariant graph partitioning enables a powerful way of exploring structural interactions among vertex sets and subgraphs, and can help uplifting the expressive power of GNNs efficiently. Based on this, we first establish a theoretical connection between graph partitioning and graph isomorphism. Then we introduce a novel GNN architecture, namely Graph Partitioning Neural Networks (GPNNs). We theoretically analyse how a graph partitioning scheme and different kinds of structural interactions relate to the k-WL hierarchy. Empirically, we demonstrate its superior performance over existing GNN models in a variety of graph benchmark tasks.  ( 2 min )

The optimization of well locations and controls is an important step in the design of subsurface flow operations such as oil production or geological CO2 storage. These optimization problems can be computationally expensive, however, as many potential candidate solutions must be evaluated. In this study, we propose a graph network surrogate model (GNSM) for optimizing well placement and controls. The GNSM transforms the flow model into a computational graph that involves an encoding-processing-decoding architecture. Separate networks are constructed to provide global predictions for the pressure and saturation state variables. Model performance is enhanced through the inclusion of the single-phase steady-state pressure solution as a feature. A multistage multistep strategy is used for training. The trained GNSM is applied to predict flow responses in a 2D unstructured model of a channelized reservoir. Results are presented for a large set of test cases, in which five injection wells and five production wells are placed randomly throughout the model, with a random control variable (bottom-hole pressure) assigned to each well. Median relative error in pressure and saturation for 300 such test cases is 1-2%. The ability of the trained GNSM to provide accurate predictions for a new (geologically similar) permeability realization is demonstrated. Finally, the trained GNSM is used to optimize well locations and controls with a differential evolution algorithm. GNSM-based optimization results are comparable to those from simulation-based optimization, with a runtime speedup of a factor of 36. Much larger speedups are expected if the method is used for robust optimization, in which each candidate solution is evaluated on multiple geological models.  ( 3 min )

Recent research advances achieve human-level accuracy for de-identifying free-text clinical notes on research datasets, but gaps remain in reproducing this in large real-world settings. This paper summarizes lessons learned from building a system used to de-identify over one billion real clinical notes, in a fully automated way, that was independently certified by multiple organizations for production use. A fully automated solution requires a very high level of accuracy that does not require manual review. A hybrid context-based model architecture is described, which outperforms a Named Entity Recogniton (NER) - only model by 10% on the i2b2-2014 benchmark. The proposed system makes 50%, 475%, and 575% fewer errors than the comparable AWS, Azure, and GCP services respectively while also outperforming ChatGPT by 33%. It exceeds 98% coverage of sensitive data across 7 European languages, without a need for fine tuning. A second set of described models enable data obfuscation -- replacing sensitive data with random surrogates -- while retaining name, date, gender, clinical, and format consistency. Both the practical need and the solution architecture that provides for reliable & linked anonymized documents are described.  ( 2 min )

Polyp segmentation, a contentious issue in medical imaging, has seen numerous proposed methods aimed at improving the quality of segmented masks. Currently, state-of-the-art techniques yield impressive results. However, the sheer size of these models poses challenges for practical industry applications. To address this, we present a Knowledge Distillation framework, incorporating attention supervision and the symmetrical guiding method. This framework is designed to facilitate knowledge transfer from a teacher model to a more compact student model with fewer parameters. Our experimental evaluation of the framework assesses its effectiveness in enabling the student model to acquire knowledge from the teacher efficiently. Additionally, our method serves to prevent the student model from incorporating redundant features that could lead to inaccurate predictions. Consequently, our method, boasting approximately 5 million parameters, achieves competitive results comparable to the state-of-the-art approaches. The implementation can be found at: https://github.com/huyquoctrinh/KDAS3  ( 2 min )

Over the past 40 years, the discovery and development of therapeutic antibodies to treat disease has become common practice. However, as therapeutic antibody constructs are becoming more sophisticated (e.g., multi-specifics), conventional approaches to optimisation are increasingly inefficient. Machine learning (ML) promises to open up an in silico route to antibody discovery and help accelerate the development of drug products using a reduced number of experiments and hence cost. Over the past few years, we have observed rapid developments in the field of ML-guided antibody discovery and development (D&D). However, many of the results are difficult to compare or hard to assess for utility by other experts in the field due to the high diversity in the datasets and evaluation techniques and metrics that are across industry and academia. This limitation of the literature curtails the broad adoption of ML across the industry and slows down overall progress in the field, highlighting the need to develop standards and guidelines that may help improve the reproducibility of ML models across different research groups. To address these challenges, we set out in this perspective to critically review current practices, explain common pitfalls, and clearly define a set of method development and evaluation guidelines that can be applied to different types of ML-based techniques for therapeutic antibody D&D. Specifically, we address in an end-to-end analysis, challenges associated with all aspects of the ML process and recommend a set of best practices for each stage.  ( 2 min )

Learning-based approaches for controlling safety-critical systems are rapidly growing in popularity; thus, it is important to assure their performance and safety. Hamilton-Jacobi (HJ) reachability analysis is a popular formal verification tool for providing such guarantees, since it can handle general nonlinear system dynamics, bounded adversarial system disturbances, and state and input constraints. However, its computational and memory complexity scales exponentially with the state dimension, making it intractable for large-scale systems. To overcome this challenge, neural approaches, such as DeepReach, have been used to synthesize reachable tubes and safety controllers for high-dimensional systems. However, verifying these neural reachable tubes remains challenging. In this work, we propose two verification methods, based on robust scenario optimization and conformal prediction, to provide probabilistic safety guarantees for neural reachable tubes. Our methods allow a direct trade-off between resilience to outlier errors in the neural tube, which are inevitable in a learning-based approach, and the strength of the probabilistic safety guarantee. Furthermore, we show that split conformal prediction, a widely used method in the machine learning community for uncertainty quantification, reduces to a scenario-based approach, making the two methods equivalent not only for verification of neural reachable tubes but also more generally. To our knowledge, our proof is the first in the literature to show a strong relationship between conformal prediction and scenario optimization. Finally, we propose an outlier-adjusted verification approach that uses the error distribution in neural reachable tubes to recover greater safe volumes. We demonstrate the efficacy of the proposed approaches for the high-dimensional problems of multi-vehicle collision avoidance and rocket landing with no-go zones.  ( 3 min )

In this work, we formally prove that, under certain conditions, if a neural network is invariant to a finite group then its weights recover the Fourier transform on that group. This provides a mathematical explanation for the emergence of Fourier features -- a ubiquitous phenomenon in both biological and artificial learning systems. The results hold even for non-commutative groups, in which case the Fourier transform encodes all the irreducible unitary group representations. Our findings have consequences for the problem of symmetry discovery. Specifically, we demonstrate that the algebraic structure of an unknown group can be recovered from the weights of a network that is at least approximately invariant within certain bounds. Overall, this work contributes to a foundation for an algebraic learning theory of invariant neural network representations.  ( 2 min )

World models are a powerful tool for developing intelligent agents. By predicting the outcome of a sequence of actions, world models enable policies to be optimised via on-policy reinforcement learning (RL) using synthetic data, i.e. in ``in imagination''. Existing world models are autoregressive, and interleave predicting the next state with sampling the next action from the policy. Thus, the prediction error inevitably compounds as the trajectory length grows. In this work, we propose a novel world modelling approach that is not autoregressive and generates entire on-policy trajectories via a single pass through a diffusion model. Our approach, Policy-Guided Trajectory Diffusion (PolyGRAD), leverages a denoising model in addition to the gradient of the action distribution of the policy to diffuse a trajectory of initially random states and actions into an on-policy synthetic trajectory. We analyse the capabilities of our approach and demonstrate that it obtains competitive prediction errors to state-of-the-art autoregressive baselines. PolyGRAD also enables performant policies to be trained via on-policy RL in imagination. We believe that PolyGRAD introduces a promising paradigm for world modelling with many possible extensions to explore in future work.  ( 2 min )

The automatic identification of planetary feature names in astronomy publications presents numerous challenges. These features include craters, defined as roughly circular depressions resulting from impact or volcanic activity; dorsas, which are elongate raised structures or wrinkle ridges; and lacus, small irregular patches of dark, smooth material on the Moon, referred to as "lake" (Planetary Names Working Group, n.d.). Many feature names overlap with places or people's names that they are named after, for example, Syria, Tempe, Einstein, and Sagan, to name a few (U.S. Geological Survey, n.d.). Some feature names have been used in many contexts, for instance, Apollo, which can refer to mission, program, sample, astronaut, seismic, seismometers, core, era, data, collection, instrument, and station, in addition to the crater on the Moon. Some feature names can appear in the text as adjectives, like the lunar craters Black, Green, and White. Some feature names in other contexts serve as directions, like craters West and South on the Moon. Additionally, some features share identical names across different celestial bodies, requiring disambiguation, such as the Adams crater, which exists on both the Moon and Mars. We present a multi-step pipeline combining rule-based filtering, statistical relevance analysis, part-of-speech (POS) tagging, named entity recognition (NER) model, hybrid keyword harvesting, knowledge graph (KG) matching, and inference with a locally installed large language model (LLM) to reliably identify planetary names despite these challenges. When evaluated on a dataset of astronomy papers from the Astrophysics Data System (ADS), this methodology achieves an F1-score over 0.97 in disambiguating planetary feature names.  ( 3 min )

Regular decision processes (RDPs) are a subclass of non-Markovian decision processes where the transition and reward functions are guarded by some regular property of the past (a lookback). While RDPs enable intuitive and succinct representation of non-Markovian decision processes, their expressive power coincides with finite-state Markov decision processes (MDPs). We introduce omega-regular decision processes (ODPs) where the non-Markovian aspect of the transition and reward functions are extended to an omega-regular lookahead over the system evolution. Semantically, these lookaheads can be considered as promises made by the decision maker or the learning agent about her future behavior. In particular, we assume that, if the promised lookaheads are not met, then the payoff to the decision maker is $\bot$ (least desirable payoff), overriding any rewards collected by the decision maker. We enable optimization and learning for ODPs under the discounted-reward objective by reducing them to lexicographic optimization and learning over finite MDPs. We present experimental results demonstrating the effectiveness of the proposed reduction.  ( 2 min )

This article presents a new methodology for extracting intervals when a home is vacant from low-frequency electricity consumption data. The approach combines multiple algorithms, including change point detection, classification, period detection, and periodic spikes retrieval. It shows encouraging results on both simulated and real consumption curves. This approach offers practical insights for optimizing energy use and holds potential benefits for residential consumers and utility companies in terms of energy cost reduction and sustainability. Further research is needed to enhance its applicability in diverse settings and with larger datasets.  ( 2 min )

Grasslands are known for their high biodiversity and ability to provide multiple ecosystem services. Challenges in automating the identification of indicator plants are key obstacles to large-scale grassland monitoring. These challenges stem from the scarcity of extensive datasets, the distributional shifts between generic and grassland-specific datasets, and the inherent opacity of deep learning models. This paper delves into the latter two challenges, with a specific focus on transfer learning and eXplainable Artificial Intelligence (XAI) approaches to grassland monitoring, highlighting the novelty of XAI in this domain. We analyze various transfer learning methods to bridge the distributional gaps between generic and grassland-specific datasets. Additionally, we showcase how explainable AI techniques can unveil the model's domain adaptation capabilities, employing quantitative assessments to evaluate the model's proficiency in accurately centering relevant input features around the object of interest. This research contributes valuable insights for enhancing model performance through transfer learning and measuring domain adaptability with explainable AI, showing significant promise for broader applications within the agricultural community.  ( 2 min )

Graph neural networks (GNNs) have recently been shown to be vulnerable to adversarial attacks, where slight perturbations in the graph structure can lead to erroneous predictions. However, current robust models for defending against such attacks inherit the transductive limitations of graph convolutional networks (GCNs). As a result, they are constrained by fixed structures and do not naturally generalize to unseen nodes. Here, we discover that transductive GCNs inherently possess a distillable robustness, achieved through a wave-induced resonance process. Based on this, we foster this resonance to facilitate inductive and robust learning. Specifically, we first prove that the signal formed by GCN-driven message passing (MP) is equivalent to the edge-based Laplacian wave, where, within a wave system, resonance can naturally emerge between the signal and its transmitting medium. This resonance provides inherent resistance to malicious perturbations inflicted on the signal system. We then prove that merely three MP iterations within GCNs can induce signal resonance between nodes and edges, manifesting as a coupling between nodes and their distillable surrounding local subgraph. Consequently, we present Graph Resonance-fostering Network (GRN) to foster this resonance via learning node representations from their distilled resonating subgraphs. By capturing the edge-transmitted signals within this subgraph and integrating them with the node signal, GRN embeds these combined signals into the central node's representation. This node-wise embedding approach allows for generalization to unseen nodes. We validate our theoretical findings with experiments, and demonstrate that GRN generalizes robustness to unseen nodes, whilst maintaining state-of-the-art classification accuracy on perturbed graphs.  ( 3 min )

In critical machine learning applications, ensuring fairness is essential to avoid perpetuating social inequities. In this work, we address the challenges of reducing bias and improving accuracy in data-scarce environments, where the cost of collecting labeled data prohibits the use of large, labeled datasets. In such settings, active learning promises to maximize marginal accuracy gains of small amounts of labeled data. However, existing applications of active learning for fairness fail to deliver on this, typically requiring large labeled datasets, or failing to ensure the desired fairness tolerance is met on the population distribution. To address such limitations, we introduce an innovative active learning framework that combines an exploration procedure inspired by posterior sampling with a fair classification subroutine. We demonstrate that this framework performs effectively in very data-scarce regimes, maximizing accuracy while satisfying fairness constraints with high probability. We evaluate our proposed approach using well-established real-world benchmark datasets and compare it against state-of-the-art methods, demonstrating its effectiveness in producing fair models, and improvement over existing methods.  ( 2 min )

The problem of designing connectivity oracles supporting vertex failures is one of the basic data structures problems for undirected graphs. It is already well understood: previous works [Duan--Pettie STOC'10; Long--Saranurak FOCS'22] achieve query time linear in the number of failed vertices, and it is conditionally optimal as long as we require preprocessing time polynomial in the size of the graph and update time polynomial in the number of failed vertices. We revisit this problem in the paradigm of algorithms with predictions: we ask if the query time can be improved if the set of failed vertices can be predicted beforehand up to a small number of errors. More specifically, we design a data structure that, given a graph $G=(V,E)$ and a set of vertices predicted to fail $\widehat{D} \subseteq V$ of size $d=|\widehat{D}|$, preprocesses it in time $\tilde{O}(d|E|)$ and then can receive an update given as the symmetric difference between the predicted and the actual set of failed vertices $\widehat{D} \triangle D = (\widehat{D} \setminus D) \cup (D \setminus \widehat{D})$ of size $\eta = |\widehat{D} \triangle D|$, process it in time $\tilde{O}(\eta^4)$, and after that answer connectivity queries in $G \setminus D$ in time $O(\eta)$. Viewed from another perspective, our data structure provides an improvement over the state of the art for the \emph{fully dynamic subgraph connectivity problem} in the \emph{sensitivity setting} [Henzinger--Neumann ESA'16]. We argue that the preprocessing time and query time of our data structure are conditionally optimal under standard fine-grained complexity assumptions.  ( 2 min )

Approximation capabilities of shallow neural networks (SNNs) form an integral part in understanding the properties of deep neural networks (DNNs). In the study of these approximation capabilities some very popular classes of target functions are the so-called spectral Barron spaces. This spaces are of special interest when it comes to the approximation of partial differential equation (PDE) solutions. It has been shown that the solution of certain static PDEs will lie in some spectral Barron space. In order to alleviate the limitation to static PDEs and include a time-domain that might have a different regularity than the space domain, we extend the notion of spectral Barron spaces to anisotropic weighted Fourier-Lebesgue spaces. In doing so, we consider target functions that have two blocks of variables, among which each block is allowed to have different decay and integrability properties. For these target functions we first study the inclusion of anisotropic weighted Fourier-Lebesgue spaces in the Bochner-Sobolev spaces. With that we can now also measure the approximation error in terms of an anisotropic Sobolev norm, namely the Bochner-Sobolev norm. We use this observation in a second step where we establish a bound on the approximation rate for functions from the anisotropic weighted Fourier-Lebesgue spaces and approximation via SNNs in the Bochner-Sobolev norm.  ( 2 min )

In various scientific and engineering applications, there is typically an approximate model of the underlying complex system, even though it contains both aleatoric and epistemic uncertainties. In this paper, we present a principled method to incorporate these approximate models as physics priors in modeling, to prevent overfitting and enhancing the generalization capabilities of the trained models. Utilizing the structural risk minimization (SRM) inductive principle pioneered by Vapnik, this approach structures the physics priors into generalized regularizers. The experimental results demonstrate that our method achieves up to two orders of magnitude of improvement in testing accuracy.  ( 2 min )

The aim of steganographic algorithms is to identify the appropriate pixel positions in the host or cover image, where bits of sensitive information can be concealed for data encryption. Work is being done to improve the capacity to integrate sensitive information and to maintain the visual appearance of the steganographic image. Consequently, steganography is a challenging research area. In our currently proposed image steganographic technique, we used the Shuffled Frog Leaping Algorithm (SFLA) to determine the order of pixels by which sensitive information can be placed in the cover image. To achieve greater embedding capacity, pixels from the spatial domain of the cover image are carefully chosen and used for placing the sensitive data. Bolstered via image steganography, the final image after embedding is resistant to steganalytic attacks. The SFLA algorithm serves in the optimal pixels selection of any colored (RGB) cover image for secret bit embedding. Using the fitness function, the SFLA benefits by reaching a minimum cost value in an acceptable amount of time. The pixels for embedding are meticulously chosen to minimize the host image's distortion upon embedding. Moreover, an effort has been taken to make the detection of embedded data in the steganographic image a formidable challenge. Due to the enormous need for audio data encryption in the current world, we feel that our suggested method has significant potential in real-world applications. In this paper, we propose and compare our strategy to existing steganographic methods.  ( 3 min )

On-device memory concerns in distributed deep learning have become severe due to (i) the growth of model size in multi-GPU training, and (ii) the wide adoption of deep neural networks for federated learning on IoT devices which have limited storage. In such settings, communication efficient optimization methods are attractive alternatives, however they still struggle with memory issues. To tackle these challenges, we propose an communication efficient method called contractive error feedback (ConEF). As opposed to SGD with error-feedback (EFSGD) that inefficiently manages memory, ConEF obtains the sweet spot of convergence and memory usage, and achieves communication efficiency by leveraging biased and all-reducable gradient compression. We empirically validate ConEF on various learning tasks that include image classification, language modeling, and machine translation and observe that ConEF saves 80\% - 90\% of the extra memory in EFSGD with almost no loss on test performance, while also achieving 1.3x - 5x speedup of SGD. Through our work, we also demonstrate the feasibility and convergence of ConEF to clear up the theoretical barrier of integrating ConEF to popular memory efficient frameworks such as ZeRO-3.  ( 2 min )

Automatic speaker verification (ASV) is highly susceptible to adversarial attacks. Purification modules are usually adopted as a pre-processing to mitigate adversarial noise. However, they are commonly implemented across diverse experimental settings, rendering direct comparisons challenging. This paper comprehensively compares mainstream purification techniques in a unified framework. We find these methods often face a trade-off between user experience and security, as they struggle to simultaneously maintain genuine sample performance and reduce adversarial perturbations. To address this challenge, some efforts have extended purification modules to encompass detection capabilities, aiming to alleviate the trade-off. However, advanced purification modules will always come into the stage to surpass previous detection method. As a result, we further propose an easy-to-follow ensemble approach that integrates advanced purification modules for detection, achieving state-of-the-art (SOTA) performance in countering adversarial noise. Our ensemble method has great potential due to its compatibility with future advanced purification techniques.  ( 2 min )

We present a novel deep learning method for estimating time-dependent parameters in Markov processes through discrete sampling. Departing from conventional machine learning, our approach reframes parameter approximation as an optimization problem using the maximum likelihood approach. Experimental validation focuses on parameter estimation in multivariate regression and stochastic differential equations (SDEs). Theoretical results show that the real solution is close to SDE with parameters approximated using our neural network-derived under specific conditions. Our work contributes to SDE-based model parameter estimation, offering a versatile tool for diverse fields.  ( 2 min )

We introduced a new framework to detect perceptual bugs using a Long Short-Term Memory (LSTM) network, which detects bugs in video games as anomalies. The detected buggy frames are then clustered to determine the category of the occurred bug. The framework was evaluated on two First Person Shooter (FPS) games. Results show the effectiveness of the framework.  ( 2 min )

We propose a cooperative training framework for deep neural network architectures that enables the runtime network depths to change to satisfy dynamic computing resource requirements. In our framework, the number of layers participating in computation can be chosen dynamically to meet performance-cost trade-offs at inference runtime. Our method trains two Teammate nets and a Leader net, and two sets of Teammate sub-networks with various depths through knowledge distillation. The Teammate nets derive sub-networks and transfer knowledge to them, and to each other, while the Leader net guides Teammate nets to ensure accuracy. The approach trains the framework atomically at once instead of individually training various sizes of models; in a sense, the various-sized networks are all trained at once, in a "package deal." The proposed framework is not tied to any specific architecture but can incorporate any existing models/architectures, therefore it can maintain stable results and is insensitive to the size of a dataset's feature map. Compared with other related approaches, it provides comparable accuracy to its full network while various sizes of models are available.  ( 2 min )

This paper addresses the challenge of a particular class of noisy state observations in Markov Decision Processes (MDPs), a common issue in various real-world applications. We focus on modeling this uncertainty through a confusion matrix that captures the probabilities of misidentifying the true state. Our primary goal is to estimate the inherent measurement noise, and to this end, we propose two novel algorithmic approaches. The first, the method of second-order repetitive actions, is designed for efficient noise estimation within a finite time window, providing identifiable conditions for system analysis. The second approach comprises a family of Bayesian algorithms, which we thoroughly analyze and compare in terms of performance and limitations. We substantiate our theoretical findings with simulations, demonstrating the effectiveness of our methods in different scenarios, particularly highlighting their behavior in environments with varying stationary distributions. Our work advances the understanding of reinforcement learning in noisy environments, offering robust techniques for more accurate state estimation in MDPs.  ( 2 min )

Algorithmic predictions are increasingly used to inform the allocations of goods and interventions in the public sphere. In these domains, predictions serve as a means to an end. They provide stakeholders with insights into likelihood of future events as a means to improve decision making quality, and enhance social welfare. However, if maximizing welfare is the ultimate goal, prediction is only a small piece of the puzzle. There are various other policy levers a social planner might pursue in order to improve bottom-line outcomes, such as expanding access to available goods, or increasing the effect sizes of interventions. Given this broad range of design decisions, a basic question to ask is: What is the relative value of prediction in algorithmic decision making? How do the improvements in welfare arising from better predictions compare to those of other policy levers? The goal of our work is to initiate the formal study of these questions. Our main results are theoretical in nature. We identify simple, sharp conditions determining the relative value of prediction vis-\`a-vis expanding access, within several statistical models that are popular amongst quantitative social scientists. Furthermore, we illustrate how these theoretical insights may be used to guide the design of algorithmic decision making systems in practice.  ( 2 min )

In the past several years, the convergence of the last iterate of the Stochastic Gradient Descent (SGD) algorithm has triggered people's interest due to its good performance in practice but lack of theoretical understanding. For Lipschitz and convex functions, different works have established the optimal $O(\log(1/\delta)\log T/\sqrt{T})$ or $O(\sqrt{\log(1/\delta)/T})$ high-probability convergence rates for the final iterate, where $T$ is the time horizon and $\delta$ is the failure probability. However, to prove these bounds, all the existing works are limited to compact domains or require almost surely bounded noises. It is natural to ask whether the last iterate of SGD can still guarantee the optimal convergence rate but without these two restrictive assumptions. Besides this important question, there are still lots of theoretical problems lacking an answer. For example, compared with the last iterate convergence of SGD for non-smooth problems, only few results for smooth optimization have yet been developed. Additionally, the existing results are all limited to a non-composite objective and the standard Euclidean norm. It still remains unclear whether the last-iterate convergence can be provably extended to wider composite optimization and non-Euclidean norms. In this work, to address the issues mentioned above, we revisit the last-iterate convergence of stochastic gradient methods and provide the first unified way to prove the convergence rates both in expectation and in high probability to accommodate general domains, composite objectives, non-Euclidean norms, Lipschitz conditions, smoothness and (strong) convexity simultaneously. Additionally, we extend our analysis to obtain the last-iterate convergence under heavy-tailed noises.  ( 3 min )

In this paper, we study random neural networks which are single-hidden-layer feedforward neural networks whose weights and biases are randomly initialized. After this random initialization, only the linear readout needs to be trained, which can be performed efficiently, e.g., by the least squares method. By viewing random neural networks as Banach space-valued random variables, we prove their universal approximation properties within suitable Bochner spaces. Hereby, the corresponding Banach space can be more general than the space of continuous functions over a compact subset of a Euclidean space, namely, e.g., an $L^p$-space or a Sobolev space, where the latter includes the approximation of the derivatives. Moreover, we derive some approximation rates and develop an explicit algorithm to learn a deterministic function by a random neural network. In addition, we provide a full error analysis and study when random neural networks overcome the curse of dimensionality in the sense that the training costs scale at most polynomially in the input and output dimension. Furthermore, we show in two numerical examples the empirical advantages of random neural networks compared to fully trained deterministic neural networks.  ( 2 min )

Cardiovascular diseases, particularly heart failure, are a leading cause of death globally. The early detection of heart failure through routine echocardiogram screenings is often impeded by the high cost and labor-intensive nature of these procedures, a barrier that can mean the difference between life and death. This paper presents ConFormer, a novel deep learning model designed to automate the estimation of Ejection Fraction (EF) and Left Ventricular Wall Thickness from echocardiograms. The implementation of ConFormer has the potential to enhance preventative cardiology by enabling cost-effective, accessible, and comprehensive heart health monitoring, thereby saving countless lives. The source code is available at https://github.com/Aether111/ConFormer.  ( 2 min )

Hypernetworks are meta neural networks that generate weights for a main neural network in an end-to-end differentiable manner. Despite extensive applications ranging from multi-task learning to Bayesian deep learning, the problem of optimizing hypernetworks has not been studied to date. We observe that classical weight initialization methods like Glorot & Bengio (2010) and He et al. (2015), when applied directly on a hypernet, fail to produce weights for the mainnet in the correct scale. We develop principled techniques for weight initialization in hypernets, and show that they lead to more stable mainnet weights, lower training loss, and faster convergence.  ( 2 min )

Perceptual modification of voice is an elusive goal. While non-experts can modify an image or sentence perceptually with available tools, it is not clear how to similarly modify speech along perceptual axes. Voice conversion does make it possible to convert one voice to another, but these modifications are handled by black box models, and the specifics of what perceptual qualities to modify and how to modify them are unclear. Towards allowing greater perceptual control over voice, we introduce PerMod, a conditional latent diffusion model that takes in an input voice and a perceptual qualities vector, and produces a voice with the matching perceptual qualities. Unlike prior work, PerMod generates a new voice corresponding to specific perceptual modifications. Evaluating perceptual quality vectors with RMSE from both human and predicted labels, we demonstrate that PerMod produces voices with the desired perceptual qualities for typical voices, but performs poorly on atypical voices.  ( 2 min )

The advent of Foundation Models is transforming machine learning across many modalities (e.g., language, images, videos) with prompt engineering replacing training in many settings. Recent work on tabular data (e.g., TabPFN) hints at a similar opportunity to build Foundation Models for classification for numerical data. In this paper, we go one step further and propose a hypernetwork architecture that we call MotherNet, trained on millions of classification tasks, that, once prompted with a never-seen-before training set generates the weights of a trained ``child'' neural-network. Like other Foundation Models, MotherNet replaces training on specific datasets with in-context learning through a single forward pass. In contrast to existing hypernetworks that were either task-specific or trained for relatively constraint multi-task settings, MotherNet is trained to generate networks to perform multiclass classification on arbitrary tabular datasets without any dataset specific gradient descent. The child network generated by MotherNet using in-context learning outperforms neural networks trained using gradient descent on small datasets, and is competitive with predictions by TabPFN and standard ML methods like Gradient Boosting. Unlike a direct application of transformer models like TabPFN, MotherNet generated networks are highly efficient at inference time. This methodology opens up a new approach to building predictive models on tabular data that is both efficient and robust, without any dataset-specific training.  ( 2 min )

With the rapid development of large language models (LLMs), it is highly demanded that LLMs can be adopted to make decisions to enable the artificial general intelligence. Most approaches leverage manually crafted examples to prompt the LLMs to imitate the decision process of human. However, designing optimal prompts is difficult and the patterned prompts can hardly be generalized to more complex environments. In this paper, we propose a novel model named Large Decision Model with Memory (LDM$^2$), which leverages a dynamic memory mechanism to construct dynamic prompts, guiding the LLMs in making proper decisions according to the faced state. LDM$^2$ consists of two stages: memory formation and memory refinement. In the former stage, human behaviors are decomposed into state-action tuples utilizing the powerful summarizing ability of LLMs. Then, these tuples are stored in the memory, whose indices are generated by the LLMs, to facilitate the retrieval of the most relevant subset of memorized tuples based on the current state. In the latter stage, our LDM$^2$ employs tree exploration to discover more suitable decision processes and enrich the memory by adding valuable state-action tuples. The dynamic circle of exploration and memory enhancement provides LDM$^2$ a better understanding of the global environment. Extensive experiments conducted in two interactive environments have shown that our LDM$^2$ outperforms the baselines in terms of both score and success rate, which demonstrates its effectiveness.  ( 3 min )

Transfer learning allows for resource-efficient geographic transfer of pre-trained field delineation models. However, the scarcity of labeled data for complex and dynamic smallholder landscapes, particularly in Sub-Saharan Africa, remains a major bottleneck for large-area field delineation. This study explores opportunities of using sparse field delineation pseudo labels for fine-tuning models across geographies and sensor characteristics. We build on a FracTAL ResUNet trained for crop field delineation in India (median field size of 0.24 ha) and use this pre-trained model to generate pseudo labels in Mozambique (median field size of 0.06 ha). We designed multiple pseudo label selection strategies and compared the quantities, area properties, seasonal distribution, and spatial agreement of the pseudo labels against human-annotated training labels (n = 1,512). We then used the human-annotated labels and the pseudo labels for model fine-tuning and compared predictions against human field annotations (n = 2,199). Our results indicate i) a good baseline performance of the pre-trained model in both field delineation and field size estimation, and ii) the added value of regional fine-tuning with performance improvements in nearly all experiments. Moreover, we found iii) substantial performance increases when using only pseudo labels (up to 77% of the IoU increases and 68% of the RMSE decreases obtained by human labels), and iv) additional performance increases when complementing human annotations with pseudo labels. Pseudo labels can be efficiently generated at scale and thus facilitate domain adaptation in label-scarce settings. The workflow presented here is a stepping stone for overcoming the persisting data gaps in heterogeneous smallholder agriculture of Sub-Saharan Africa, where labels are commonly scarce.  ( 3 min )

In today's data-driven landscape, time series forecasting is pivotal in decision-making across various sectors. Yet, the proliferation of more diverse time series data, coupled with the expanding landscape of available forecasting methods, poses significant challenges for forecasters. To meet the growing demand for efficient forecasting, we introduce auto-sktime, a novel framework for automated time series forecasting. The proposed framework uses the power of automated machine learning (AutoML) techniques to automate the creation of the entire forecasting pipeline. The framework employs Bayesian optimization, to automatically construct pipelines from statistical, machine learning (ML) and deep neural network (DNN) models. Furthermore, we propose three essential improvements to adapt AutoML to time series data: First, pipeline templates to account for the different supported forecasting models. Second, a novel warm-starting technique to start the optimization from prior optimization runs. Third, we adapt multi-fidelity optimizations to make them applicable to a search space containing statistical, ML and DNN models. Experimental results on 64 diverse real-world time series datasets demonstrate the effectiveness and efficiency of the framework, outperforming traditional methods while requiring minimal human involvement.  ( 2 min )

In this paper, we propose a novel personalized decision support system that combines Theory of Mind (ToM) modeling and explainable Reinforcement Learning (XRL) to provide effective and interpretable interventions. Our method leverages DRL to provide expert action recommendations while incorporating ToM modeling to understand users' mental states and predict their future actions, enabling appropriate timing for intervention. To explain interventions, we use counterfactual explanations based on RL's feature importance and users' ToM model structure. Our proposed system generates accurate and personalized interventions that are easily interpretable by end-users. We demonstrate the effectiveness of our approach through a series of crowd-sourcing experiments in a simulated team decision-making task, where our system outperforms control baselines in terms of task performance. Our proposed approach is agnostic to task environment and RL model structure, therefore has the potential to be generalized to a wide range of applications.  ( 2 min )

In many applications, such as scientific literature management, researcher search, social network analysis and etc, Name Disambiguation (aiming at disambiguating WhoIsWho) has been a challenging problem. In addition, the growth of scientific literature makes the problem more difficult and urgent. Although name disambiguation has been extensively studied in academia and industry, the problem has not been solved well due to the clutter of data and the complexity of the same name scenario. In this work, we aim to explore models that can perform the task of name disambiguation using the network structure that is intrinsic to the problem and present an analysis of the models.  ( 2 min )

Computers calculate transcendental functions by approximating them through the composition of a few limited-precision instructions. For example, an exponential can be calculated with a Taylor series. These approximation methods were developed over the centuries by mathematicians, who emphasized the attainability of arbitrary precision. Computers, however, operate on few limited precision types, such as the popular float32. In this study, we show that when aiming for limited precision, existing approximation methods can be outperformed by programs automatically discovered from scratch by a simple evolutionary algorithm. In particular, over real numbers, our method can approximate the exponential function reaching orders of magnitude more precision for a given number of operations when compared to previous approaches. More practically, over float32 numbers and constrained to less than 1 ULP of error, the same method attains a speedup over baselines by generating code that triggers better XLA/LLVM compilation paths. In other words, in both cases, evolution searched a vast space of possible programs, without knowledge of mathematics, to discover previously unknown optimized approximations to high precision, for the first time. We also give evidence that these results extend beyond the exponential. The ubiquity of transcendental functions suggests that our method has the potential to reduce the cost of scientific computing applications.  ( 2 min )

The protection of sensitive data becomes more vital, as data increases in value and potency. Furthermore, the pressure increases from regulators and society on model developers to make their Artificial Intelligence (AI) models non-discriminatory. To boot, there is a need for interpretable, transparent AI models for high-stakes tasks. In general, measuring the fairness of any AI model requires the sensitive attributes of the individuals in the dataset, thus raising privacy concerns. In this work, the trade-offs between fairness, privacy and interpretability are further explored. We specifically examine the Statistical Parity (SP) of Decision Trees (DTs) with Differential Privacy (DP), that are each popular methods in their respective subfield. We propose a novel method, dubbed Privacy-Aware Fairness Estimation of Rules (PAFER), that can estimate SP in a DP-aware manner for DTs. DP, making use of a third-party legal entity that securely holds this sensitive data, guarantees privacy by adding noise to the sensitive data. We experimentally compare several DP mechanisms. We show that using the Laplacian mechanism, the method is able to estimate SP with low error while guaranteeing the privacy of the individuals in the dataset with high certainty. We further show experimentally and theoretically that the method performs better for DTs that humans generally find easier to interpret.  ( 2 min )

The success of gradient-based meta-learning is primarily attributed to its ability to leverage related tasks to learn task-invariant information. However, the absence of interactions between different tasks in the inner loop leads to task-specific over-fitting in the initial phase of meta-training. While this is eventually corrected by the presence of these interactions in the outer loop, it comes at a significant cost of slower meta-learning. To address this limitation, we explicitly encode task relatedness via an inner loop regularization mechanism inspired by multi-task learning. Our algorithm shares gradient information from previously encountered tasks as well as concurrent tasks in the same task batch, and scales their contribution with meta-learned parameters. We show using two popular few-shot classification datasets that gradient sharing enables meta-learning under bigger inner loop learning rates and can accelerate the meta-training process by up to 134%.  ( 2 min )

Weight-sharing plays a significant role in the success of many deep neural networks, by increasing memory efficiency and incorporating useful inductive priors about the problem into the network. But understanding how weight-sharing can be used effectively in general is a topic that has not been studied extensively. Chen et al. [2015] proposed HashedNets, which augments a multi-layer perceptron with a hash table, as a method for neural network compression. We generalize this method into a framework (ArbNets) that allows for efficient arbitrary weight-sharing, and use it to study the role of weight-sharing in neural networks. We show that common neural networks can be expressed as ArbNets with different hash functions. We also present two novel hash functions, the Dirichlet hash and the Neighborhood hash, and use them to demonstrate experimentally that balanced and deterministic weight-sharing helps with the performance of a neural network.  ( 2 min )

Ovarian cancer (OC) is one of the most prevalent types of cancer in women. Early and accurate diagnosis is crucial for the survival of the patients. However, the majority of women are diagnosed in advanced stages due to the lack of effective biomarkers and accurate screening tools. While previous studies sought a common biomarker, our study suggests different biomarkers for the premenopausal and postmenopausal populations. This can provide a new perspective in the search for novel predictors for the effective diagnosis of OC. Lack of explainability is one major limitation of current AI systems. The stochastic nature of the ML algorithms raises concerns about the reliability of the system as it is difficult to interpret the reasons behind the decisions. To increase the trustworthiness and accountability of the diagnostic system as well as to provide transparency and explanations behind the predictions, explainable AI has been incorporated into the ML framework. SHAP is employed to quantify the contributions of the selected biomarkers and determine the most discriminative features. A hybrid decision support system has been established that can eliminate the bottlenecks caused by the black-box nature of the ML algorithms providing a safe and trustworthy AI tool. The diagnostic accuracy obtained from the proposed system outperforms the existing methods as well as the state-of-the-art ROMA algorithm by a substantial margin which signifies its potential to be an effective tool in the differential diagnosis of OC.  ( 3 min )

The high dimensionality and complexity of neuroimaging data necessitate large datasets to develop robust and high-performing deep learning models. However, the neuroimaging field is notably hampered by the scarcity of such datasets. In this work, we proposed a data augmentation and validation framework that utilizes dynamic forecasting with Long Short-Term Memory (LSTM) networks to enrich datasets. We extended multivariate time series data by predicting the time courses of independent component networks (ICNs) in both one-step and recursive configurations. The effectiveness of these augmented datasets was then compared with the original data using various deep learning models designed for chronological age prediction tasks. The results suggest that our approach improves model performance, providing a robust solution to overcome the challenges presented by the limited size of neuroimaging datasets.  ( 2 min )

Medication recommendation is a vital task for improving patient care and reducing adverse events. However, existing methods often fail to capture the complex and dynamic relationships among patient medical records, drug efficacy and safety, and drug-drug interactions (DDI). In this paper, we propose ALGNet, a novel model that leverages light graph convolutional networks (LGCN) and augmentation memory networks (AMN) to enhance medication recommendation. LGCN can efficiently encode the patient records and the DDI graph into low-dimensional embeddings, while AMN can augment the patient representation with external knowledge from a memory module. We evaluate our model on the MIMIC-III dataset and show that it outperforms several baselines in terms of recommendation accuracy and DDI avoidance. We also conduct an ablation study to analyze the effects of different components of our model. Our results demonstrate that ALGNet can achieve superior performance with less computation and more interpretability. The implementation of this paper can be found at: https://github.com/huyquoctrinh/ALGNet.  ( 2 min )

Transformers are neural networks which revolutionised natural language processing and machine learning. They process sequences of inputs, like words, using a mechanism called self-attention, which is trained via masked language modelling (MLM). In MLM, a word is randomly masked in an input sequence, and the network is trained to predict the missing word. Despite the practical success of transformers, it remains unclear what type of data distribution self-attention can learn efficiently. Here, we show analytically that if one decouples the treatment of word positions and embeddings, a single layer of self-attention learns the conditionals of a generalised Potts model with interactions between sites and Potts colours. Moreover, we show that training this neural network is exactly equivalent to solving the inverse Potts problem by the so-called pseudo-likelihood method, well known in statistical physics. Using this mapping, we compute the generalisation error of self-attention in a model scenario analytically using the replica method.  ( 2 min )

Motivated by policy gradient methods in the context of reinforcement learning, we derive the first large deviation rate function for the iterates generated by stochastic gradient descent for possibly non-convex objectives satisfying a Polyak-Lojasiewicz condition. Leveraging the contraction principle from large deviations theory, we illustrate the potential of this result by showing how convergence properties of policy gradient with a softmax parametrization and an entropy regularized objective can be naturally extended to a wide spectrum of other policy parametrizations.  ( 2 min )

We introduce Lagrangian Flow Networks (LFlows) for modeling fluid densities and velocities continuously in space and time. By construction, the proposed LFlows satisfy the continuity equation, a PDE describing mass conservation in its differentiable form. Our model is based on the insight that solutions to the continuity equation can be expressed as time-dependent density transformations via differentiable and invertible maps. This follows from classical theory of the existence and uniqueness of Lagrangian flows for smooth vector fields. Hence, we model fluid densities by transforming a base density with parameterized diffeomorphisms conditioned on time. The key benefit compared to methods relying on numerical ODE solvers or PINNs is that the analytic expression of the velocity is always consistent with changes in density. Furthermore, we require neither expensive numerical solvers, nor additional penalties to enforce the PDE. LFlows show higher predictive accuracy in density modeling tasks compared to competing models in 2D and 3D, while being computationally efficient. As a real-world application, we model bird migration based on sparse weather radar measurements.  ( 2 min )

In critical machine learning applications, ensuring fairness is essential to avoid perpetuating social inequities. In this work, we address the challenges of reducing bias and improving accuracy in data-scarce environments, where the cost of collecting labeled data prohibits the use of large, labeled datasets. In such settings, active learning promises to maximize marginal accuracy gains of small amounts of labeled data. However, existing applications of active learning for fairness fail to deliver on this, typically requiring large labeled datasets, or failing to ensure the desired fairness tolerance is met on the population distribution. To address such limitations, we introduce an innovative active learning framework that combines an exploration procedure inspired by posterior sampling with a fair classification subroutine. We demonstrate that this framework performs effectively in very data-scarce regimes, maximizing accuracy while satisfying fairness constraints with high probability. We evaluate our proposed approach using well-established real-world benchmark datasets and compare it against state-of-the-art methods, demonstrating its effectiveness in producing fair models, and improvement over existing methods.  ( 2 min )

We study Off-Policy Evaluation (OPE) in contextual bandit settings with large action spaces. The benchmark estimators suffer from severe bias and variance tradeoffs. Parametric approaches suffer from bias due to difficulty specifying the correct model, whereas ones with importance weight suffer from variance. To overcome these limitations, Marginalized Inverse Propensity Scoring (MIPS) was proposed to mitigate the estimator's variance via embeddings of an action. Nevertheless, MIPS is unbiased under the no direct effect, which assumes that the action embedding completely mediates the effect of an action on a reward. To overcome the dependency on these unrealistic assumptions, we propose a Marginalized Doubly Robust (MDR) estimator. Theoretical analysis shows that the proposed estimator is unbiased under weaker assumptions than MIPS while reducing the variance against MIPS. The empirical experiment verifies the supremacy of MDR against existing estimators with large action spaces.  ( 2 min )

Multi-source domain adaptation (MSDA) methods aim to transfer knowledge from multiple labeled source domains to an unlabeled target domain. Although current methods achieve target joint distribution identifiability by enforcing minimal changes across domains, they often necessitate stringent conditions, such as an adequate number of domains, monotonic transformation of latent variables, and invariant label distributions. These requirements are challenging to satisfy in real-world applications. To mitigate the need for these strict assumptions, we propose a subspace identification theory that guarantees the disentanglement of domain-invariant and domain-specific variables under less restrictive constraints regarding domain numbers and transformation properties, thereby facilitating domain adaptation by minimizing the impact of domain shifts on invariant variables. Based on this theory, we develop a Subspace Identification Guarantee (SIG) model that leverages variational inference. Furthermore, the SIG model incorporates class-aware conditional alignment to accommodate target shifts where label distributions change with the domains. Experimental results demonstrate that our SIG model outperforms existing MSDA techniques on various benchmark datasets, highlighting its effectiveness in real-world applications.  ( 2 min )

Distributed stochastic optimization has drawn great attention recently due to its effectiveness in solving large-scale machine learning problems. Though numerous algorithms have been proposed and successfully applied to general practical problems, their theoretical guarantees mainly rely on certain boundedness conditions on the stochastic gradients, varying from uniform boundedness to the relaxed growth condition. In addition, how to characterize the data heterogeneity among the agents and its impacts on the algorithmic performance remains challenging. In light of such motivations, we revisit the classical Federated Averaging (FedAvg) algorithm (McMahan et al., 2017) as well as the more recent SCAFFOLD method (Karimireddy et al., 2020) for solving the distributed stochastic optimization problem and establish the convergence results under only a mild variance condition on the stochastic gradients for smooth nonconvex objective functions. Almost sure convergence to a stationary point is also established under the condition. Moreover, we discuss a more informative measurement for data heterogeneity as well as its implications.  ( 2 min )

This paper introduces a physics-informed machine learning approach for pathloss prediction. This is achieved by including in the training phase simultaneously (i) physical dependencies between spatial loss field and (ii) measured pathloss values in the field. It is shown that the solution to a proposed learning problem improves generalization and prediction quality with a small number of neural network layers and parameters. The latter leads to fast inference times which are favorable for downstream tasks such as localization. Moreover, the physics-informed formulation allows training and prediction with a small amount of training data which makes it appealing for a wide range of practical pathloss prediction scenarios.  ( 2 min )

A default assumption in reinforcement learning (RL) and optimal control is that observations arrive at discrete time points on a fixed clock cycle. Yet, many applications involve continuous-time systems where the time discretization, in principle, can be managed. The impact of time discretization on RL methods has not been fully characterized in existing theory, but a more detailed analysis of its effect could reveal opportunities for improving data-efficiency. We address this gap by analyzing Monte-Carlo policy evaluation for LQR systems and uncover a fundamental trade-off between approximation and statistical error in value estimation. Importantly, these two errors behave differently to time discretization, leading to an optimal choice of temporal resolution for a given data budget. These findings show that managing the temporal resolution can provably improve policy evaluation efficiency in LQR systems with finite data. Empirically, we demonstrate the trade-off in numerical simulations of LQR instances and standard RL benchmarks for non-linear continuous control.  ( 2 min )

This article introduces an advanced Koopman mode decomposition (KMD) technique -- coined Featurized Koopman Mode Decomposition (FKMD) -- that uses time embedding and Mahalanobis scaling to enhance analysis and prediction of high dimensional dynamical systems. The time embedding expands the observation space to better capture underlying manifold structure, while the Mahalanobis scaling, applied to kernel or random Fourier features, adjusts observations based on the system's dynamics. This aids in featurizing KMD in cases where good features are not a priori known. We show that our method improves KMD predictions for a high dimensional Lorenz attractor and for a cell signaling problem from cancer research.  ( 2 min )

We study how to extend the use of the diffusion model to answer the causal question from the observational data under the existence of unmeasured confounders. In Pearl's framework of using a Directed Acyclic Graph (DAG) to capture the causal intervention, a Diffusion-based Causal Model (DCM) was proposed incorporating the diffusion model to answer the causal questions more accurately, assuming that all of the confounders are observed. However, unmeasured confounders in practice exist, which hinders DCM from being applicable. To alleviate this limitation of DCM, we propose an extended model called Backdoor Criterion based DCM (BDCM), whose idea is rooted in the Backdoor criterion to find the variables in DAG to be included in the decoding process of the diffusion model so that we can extend DCM to the case with unmeasured confounders. Synthetic data experiment demonstrates that our proposed model captures the counterfactual distribution more precisely than DCM under the unmeasured confounders.  ( 2 min )

Gaussian process regression is a classical kernel method for function estimation and data interpolation. In large data applications, computational costs can be reduced using low-rank or sparse approximations of the kernel. This paper investigates the effect of such kernel approximations on the interpolation error. We introduce a unified framework to analyze Gaussian process regression under important classes of computational misspecification: Karhunen-Lo\`eve expansions that result in low-rank kernel approximations, multiscale wavelet expansions that induce sparsity in the covariance matrix, and finite element representations that induce sparsity in the precision matrix. Our theory also accounts for epistemic misspecification in the choice of kernel parameters.  ( 2 min )

Dynamical systems across the sciences, from electrical circuits to ecological networks, undergo qualitative and often catastrophic changes in behavior, called bifurcations, when their underlying parameters cross a threshold. Existing methods predict oncoming catastrophes in individual systems but are primarily time-series-based and struggle both to categorize qualitative dynamical regimes across diverse systems and to generalize to real data. To address this challenge, we propose a data-driven, physically-informed deep-learning framework for classifying dynamical regimes and characterizing bifurcation boundaries based on the extraction of topologically invariant features. We focus on the paradigmatic case of the supercritical Hopf bifurcation, which is used to model periodic dynamics across a wide range of applications. Our convolutional attention method is trained with data augmentations that encourage the learning of topological invariants which can be used to detect bifurcation boundaries in unseen systems and to design models of biological systems like oscillatory gene regulatory networks. We further demonstrate our method's use in analyzing real data by recovering distinct proliferation and differentiation dynamics along pancreatic endocrinogenesis trajectory in gene expression space based on single-cell data. Our method provides valuable insights into the qualitative, long-term behavior of a wide range of dynamical systems, and can detect bifurcations or catastrophic transitions in large-scale physical and biological systems.  ( 2 min )

The recent success of neural networks in natural language processing has drawn renewed attention to learning sequence-to-sequence (seq2seq) tasks. While there exists a rich literature that studies classification and regression tasks using solvable models of neural networks, seq2seq tasks have not yet been studied from this perspective. Here, we propose a simple model for a seq2seq task that has the advantage of providing explicit control over the degree of memory, or non-Markovianity, in the sequences -- the stochastic switching-Ornstein-Uhlenbeck (SSOU) model. We introduce a measure of non-Markovianity to quantify the amount of memory in the sequences. For a minimal auto-regressive (AR) learning model trained on this task, we identify two learning regimes corresponding to distinct phases in the stationary state of the SSOU process. These phases emerge from the interplay between two different time scales that govern the sequence statistics. Moreover, we observe that while increasing the integration window of the AR model always improves performance, albeit with diminishing returns, increasing the non-Markovianity of the input sequences can improve or degrade its performance. Finally, we perform experiments with recurrent and convolutional neural networks that show that our observations carry over to more complicated neural network architectures.  ( 2 min )

Using symmetry as an inductive bias in deep learning has been proven to be a principled approach for sample-efficient model design. However, the relationship between symmetry and the imperative for equivariance in neural networks is not always obvious. Here, we analyze a key limitation that arises in equivariant functions: their incapacity to break symmetry at the level of individual data samples. In response, we introduce a novel notion of 'relaxed equivariance' that circumvents this limitation. We further demonstrate how to incorporate this relaxation into equivariant multilayer perceptrons (E-MLPs), offering an alternative to the noise-injection method. The relevance of symmetry breaking is then discussed in various application domains: physics, graph representation learning, combinatorial optimization and equivariant decoding.  ( 2 min )

Clustering algorithms may unintentionally propagate or intensify existing disparities, leading to unfair representations or biased decision-making. Current fair clustering methods rely on notions of fairness that do not capture any information on the underlying causal mechanisms. We show that optimising for non-causal fairness notions can paradoxically induce direct discriminatory effects from a causal standpoint. We present a clustering approach that incorporates causal fairness metrics to provide a more nuanced approach to fairness in unsupervised learning. Our approach enables the specification of the causal fairness metrics that should be minimised. We demonstrate the efficacy of our methodology using datasets known to harbour unfair biases.  ( 2 min )

In the face of dataset shift, model calibration plays a pivotal role in ensuring the reliability of machine learning systems. Calibration error (CE) is an indicator of the alignment between the predicted probabilities and the classifier accuracy. While prior works have delved into the implications of dataset shift on calibration, existing CE estimators assume access to labels from the target domain, which are often unavailable in practice, i.e., when the model is deployed and used. This work addresses such challenging scenario, and proposes a novel CE estimator under label shift, which is characterized by changes in the marginal label distribution $p(Y)$, while keeping the conditional $p(X|Y)$ constant between the source and target distributions. Our contribution is an approach, which, by leveraging importance re-weighting of the labeled source distribution, provides consistent and asymptotically unbiased CE estimation with respect to the shifted target distribution. Empirical results across diverse real-world datasets, under various conditions and label-shift intensities, demonstrate the effectiveness and reliability of the proposed estimator.  ( 2 min )

Diffusion models have emerged as powerful tools for high-quality data generation, such as image generation. Despite its success in continuous spaces, discrete diffusion models, which apply to domains such as texts and natural languages, remain under-studied and often suffer from slow generation speed. In this paper, we propose a novel de-randomized diffusion process, which leads to an accelerated algorithm for discrete diffusion models. Our technique significantly reduces the number of function evaluations (i.e., calls to the neural network), making the sampling process much faster. Furthermore, we introduce a continuous-time (i.e., infinite-step) sampling algorithm that can provide even better sample qualities than its discrete-time (finite-step) counterpart. Extensive experiments on natural language generation and machine translation tasks demonstrate the superior performance of our method in terms of both generation speed and sample quality over existing methods for discrete diffusion models.  ( 2 min )

This paper considers the problem of evaluating an autonomous system's competency in performing a task, particularly when working in dynamic and uncertain environments. The inherent opacity of machine learning models, from the perspective of the user, often described as a `black box', poses a challenge. To overcome this, we propose using a measure called the Surprise index, which leverages available measurement data to quantify whether the dynamic system performs as expected. We show that the surprise index can be computed in closed form for dynamic systems when observed evidence in a probabilistic model if the joint distribution for that evidence follows a multivariate Gaussian marginal distribution. We then apply it to a nonlinear spacecraft maneuver problem, where actions are chosen by a reinforcement learning agent and show it can indicate how well the trajectory follows the required orbit.  ( 2 min )

Predictive Process Monitoring (PPM) aims at leveraging historic process execution data to predict how ongoing executions will continue up to their completion. In recent years, PPM techniques for the prediction of the next activities have matured significantly, mainly thanks to the use of Neural Networks (NNs) as a predictor. While their performance is difficult to beat in the general case, there are specific situations where background process knowledge can be helpful. Such knowledge can be leveraged for improving the quality of predictions for exceptional process executions or when the process changes due to a concept drift. In this paper, we present a Symbolic[Neuro] system that leverages background knowledge expressed in terms of a procedural process model to offset the under-sampling in the training data. More specifically, we make predictions using NNs with attention mechanism, an emerging technology in the NN field. The system has been tested on several real-life logs showing an improvement in the performance of the prediction task.  ( 2 min )

With the proliferation of ever more complicated Deep Learning architectures, data synthesis is a highly promising technique to address the demand of data-hungry models. However, reliably assessing the quality of a 'synthesiser' model's output is an open research question with significant associated risks for high-stake domains. To address this challenge, we have designed a unique confident data synthesis algorithm that introduces statistical confidence guarantees through a novel extension of the Conformal Prediction framework. We support our proposed algorithm with theoretical proofs and an extensive empirical evaluation of five benchmark datasets. To show our approach's versatility on ubiquitous real-world challenges, the datasets were carefully selected for their variety of difficult characteristics: low sample count, class imbalance and non-separability, and privacy-sensitive data. In all trials, training sets extended with our confident synthesised data performed at least as well as the original, and frequently significantly improved Deep Learning performance by up to +65% F1-score.  ( 2 min )

A large amount of effort has recently been put into understanding the barren plateau phenomenon. In this perspective article, we face the increasingly loud elephant in the room and ask a question that has been hinted at by many but not explicitly addressed: Can the structure that allows one to avoid barren plateaus also be leveraged to efficiently simulate the loss classically? We present strong evidence that commonly used models with provable absence of barren plateaus are also classically simulable, provided that one can collect some classical data from quantum devices during an initial data acquisition phase. This follows from the observation that barren plateaus result from a curse of dimensionality, and that current approaches for solving them end up encoding the problem into some small, classically simulable, subspaces. This sheds serious doubt on the non-classicality of the information processing capabilities of parametrized quantum circuits for barren plateau-free landscapes and on the possibility of superpolynomial advantages from running them on quantum hardware. We end by discussing caveats in our arguments, the role of smart initializations, and by highlighting new opportunities that our perspective raises.  ( 3 min )

We propose a new method called the Metropolis-adjusted Mirror Langevin algorithm for approximate sampling from distributions whose support is a compact and convex set. This algorithm adds an accept-reject filter to the Markov chain induced by a single step of the mirror Langevin algorithm (Zhang et al., 2020), which is a basic discretisation of the mirror Langevin dynamics. Due to the inclusion of this filter, our method is unbiased relative to the target, while known discretisations of the mirror Langevin dynamics including the mirror Langevin algorithm have an asymptotic bias. We give upper bounds for the mixing time of the proposed algorithm when the potential is relatively smooth, convex, and Lipschitz with respect to a self-concordant mirror function. As a consequence of the reversibility of the Markov chain induced by the algorithm, we obtain an exponentially better dependence on the error tolerance for approximate sampling. We also present numerical experiments that corroborate our theoretical findings.  ( 2 min )

Proper scoring rules evaluate the quality of probabilistic predictions, playing an essential role in the pursuit of accurate and well-calibrated models. Every proper score decomposes into two fundamental components -- proper calibration error and refinement -- utilizing a Bregman divergence. While uncertainty calibration has gained significant attention, current literature lacks a general estimator for these quantities with known statistical properties. To address this gap, we propose a method that allows consistent, and asymptotically unbiased estimation of all proper calibration errors and refinement terms. In particular, we introduce Kullback--Leibler calibration error, induced by the commonly used cross-entropy loss. As part of our results, we prove the relation between refinement and f-divergences, which implies information monotonicity in neural networks, regardless of which proper scoring rule is optimized. Our experiments validate empirically the claimed properties of the proposed estimator and suggest that the selection of a post-hoc calibration method should be determined by the particular calibration error of interest.  ( 2 min )

While recent model-free Reinforcement Learning (RL) methods have demonstrated human-level effectiveness in gaming environments, their success in everyday tasks like visual navigation has been limited, particularly under significant appearance variations. This limitation arises from (i) poor sample efficiency and (ii) over-fitting to training scenarios. To address these challenges, we present a world model that learns invariant features using (i) contrastive unsupervised learning and (ii) an intervention-invariant regularizer. Learning an explicit representation of the world dynamics i.e. a world model, improves sample efficiency while contrastive learning implicitly enforces learning of invariant features, which improves generalization. However, the naive integration of contrastive loss to world models fails due to a lack of supervisory signals to the visual encoder, as world-model-based RL methods independently optimize representation learning and agent policy. To overcome this issue, we propose an intervention-invariant regularizer in the form of an auxiliary task such as depth prediction, image denoising, etc., that explicitly enforces invariance to style-interventions. Our method outperforms current state-of-the-art model-based and model-free RL methods and significantly on out-of-distribution point navigation task evaluated on the iGibson benchmark. We further demonstrate that our approach, with only visual observations, outperforms recent language-guided foundation models for point navigation, which is essential for deployment on robots with limited computation capabilities. Finally, we demonstrate that our proposed model excels at the sim-to-real transfer of its perception module on Gibson benchmark.  ( 3 min )

In the study of the brain, there is a hypothesis that sparse coding is realized in information representation of external stimuli, which is experimentally confirmed for visual stimulus recently. However, unlike the specific functional region in the brain, sparse coding in information processing in the whole brain has not been clarified sufficiently. In this study, we investigate the validity of sparse coding in the whole human brain by applying various matrix factorization methods to functional magnetic resonance imaging data of neural activities in the whole human brain. The result suggests sparse coding hypothesis in information representation in the whole human brain, because extracted features from sparse MF method, SparsePCA or MOD under high sparsity setting, or approximate sparse MF method, FastICA, can classify external visual stimuli more accurately than non-sparse MF method or sparse MF method under low sparsity setting.  ( 2 min )

We present a novel deep learning method for estimating time-dependent parameters in Markov processes through discrete sampling. Departing from conventional machine learning, our approach reframes parameter approximation as an optimization problem using the maximum likelihood approach. Experimental validation focuses on parameter estimation in multivariate regression and stochastic differential equations (SDEs). Theoretical results show that the real solution is close to SDE with parameters approximated using our neural network-derived under specific conditions. Our work contributes to SDE-based model parameter estimation, offering a versatile tool for diverse fields.  ( 2 min )

Approximation capabilities of shallow neural networks (SNNs) form an integral part in understanding the properties of deep neural networks (DNNs). In the study of these approximation capabilities some very popular classes of target functions are the so-called spectral Barron spaces. This spaces are of special interest when it comes to the approximation of partial differential equation (PDE) solutions. It has been shown that the solution of certain static PDEs will lie in some spectral Barron space. In order to alleviate the limitation to static PDEs and include a time-domain that might have a different regularity than the space domain, we extend the notion of spectral Barron spaces to anisotropic weighted Fourier-Lebesgue spaces. In doing so, we consider target functions that have two blocks of variables, among which each block is allowed to have different decay and integrability properties. For these target functions we first study the inclusion of anisotropic weighted Fourier-Lebesgue spaces in the Bochner-Sobolev spaces. With that we can now also measure the approximation error in terms of an anisotropic Sobolev norm, namely the Bochner-Sobolev norm. We use this observation in a second step where we establish a bound on the approximation rate for functions from the anisotropic weighted Fourier-Lebesgue spaces and approximation via SNNs in the Bochner-Sobolev norm.  ( 2 min )

Algorithmic predictions are increasingly used to inform the allocations of goods and interventions in the public sphere. In these domains, predictions serve as a means to an end. They provide stakeholders with insights into likelihood of future events as a means to improve decision making quality, and enhance social welfare. However, if maximizing welfare is the ultimate goal, prediction is only a small piece of the puzzle. There are various other policy levers a social planner might pursue in order to improve bottom-line outcomes, such as expanding access to available goods, or increasing the effect sizes of interventions. Given this broad range of design decisions, a basic question to ask is: What is the relative value of prediction in algorithmic decision making? How do the improvements in welfare arising from better predictions compare to those of other policy levers? The goal of our work is to initiate the formal study of these questions. Our main results are theoretical in nature. We identify simple, sharp conditions determining the relative value of prediction vis-\`a-vis expanding access, within several statistical models that are popular amongst quantitative social scientists. Furthermore, we illustrate how these theoretical insights may be used to guide the design of algorithmic decision making systems in practice.  ( 2 min )

This study examines 4-bit quantization methods like GPTQ in large language models (LLMs), highlighting GPTQ's overfitting and limited enhancement in Zero-Shot tasks. While prior works merely focusing on zero-shot measurement, we extend task scope to more generative categories such as code generation and abstractive summarization, in which we found that INT4 quantization can significantly underperform. However, simply shifting to higher precision formats like FP6 has been particularly challenging, thus overlooked, due to poor performance caused by the lack of sophisticated integration and system acceleration strategies on current AI hardware. Our results show that FP6, even with a coarse-grain quantization scheme, performs robustly across various algorithms and tasks, demonstrating its superiority in accuracy and versatility. Notably, with the FP6 quantization, \codestar-15B model performs comparably to its FP16 counterpart in code generation, and for smaller models like the 406M it closely matches their baselines in summarization. Neither can be achieved by INT4. To better accommodate various AI hardware and achieve the best system performance, we propose a novel 4+2 design for FP6 to achieve similar latency to the state-of-the-art INT4 fine-grain quantization. With our design, FP6 can become a promising solution to the current 4-bit quantization methods used in LLMs.  ( 2 min )

In the past several years, the convergence of the last iterate of the Stochastic Gradient Descent (SGD) algorithm has triggered people's interest due to its good performance in practice but lack of theoretical understanding. For Lipschitz and convex functions, different works have established the optimal $O(\log(1/\delta)\log T/\sqrt{T})$ or $O(\sqrt{\log(1/\delta)/T})$ high-probability convergence rates for the final iterate, where $T$ is the time horizon and $\delta$ is the failure probability. However, to prove these bounds, all the existing works are limited to compact domains or require almost surely bounded noises. It is natural to ask whether the last iterate of SGD can still guarantee the optimal convergence rate but without these two restrictive assumptions. Besides this important question, there are still lots of theoretical problems lacking an answer. For example, compared with the last iterate convergence of SGD for non-smooth problems, only few results for smooth optimization have yet been developed. Additionally, the existing results are all limited to a non-composite objective and the standard Euclidean norm. It still remains unclear whether the last-iterate convergence can be provably extended to wider composite optimization and non-Euclidean norms. In this work, to address the issues mentioned above, we revisit the last-iterate convergence of stochastic gradient methods and provide the first unified way to prove the convergence rates both in expectation and in high probability to accommodate general domains, composite objectives, non-Euclidean norms, Lipschitz conditions, smoothness and (strong) convexity simultaneously. Additionally, we extend our analysis to obtain the last-iterate convergence under heavy-tailed noises.  ( 3 min )

In this paper, we study random neural networks which are single-hidden-layer feedforward neural networks whose weights and biases are randomly initialized. After this random initialization, only the linear readout needs to be trained, which can be performed efficiently, e.g., by the least squares method. By viewing random neural networks as Banach space-valued random variables, we prove their universal approximation properties within suitable Bochner spaces. Hereby, the corresponding Banach space can be more general than the space of continuous functions over a compact subset of a Euclidean space, namely, e.g., an $L^p$-space or a Sobolev space, where the latter includes the approximation of the derivatives. Moreover, we derive some approximation rates and develop an explicit algorithm to learn a deterministic function by a random neural network. In addition, we provide a full error analysis and study when random neural networks overcome the curse of dimensionality in the sense that the training costs scale at most polynomially in the input and output dimension. Furthermore, we show in two numerical examples the empirical advantages of random neural networks compared to fully trained deterministic neural networks.  ( 2 min )

Posted by Phitchaya Mangpo Phothilimthana, Staff Research Scientist, Google DeepMind, and Bryan Perozzi, Senior Staff Research Scientist, Google Research With the recent and accelerated advances in machine learning (ML), machines can understand natural language, engage in conversations, draw images, create videos and more. Modern ML models are programmed and trained using ML programming frameworks, such as TensorFlow, JAX, PyTorch, among many others. These libraries provide high-level instructions to ML practitioners, such as linear algebra operations (e.g., matrix multiplication, convolution, etc.) and neural network layers (e.g., 2D convolution layers, transformer layers). Importantly, practitioners need not worry about how to make their models run efficiently on hardware because an…  ( 93 min )

Posted by Kihyuk Sohn and Dilip Krishnan, Research Scientists, Google Research Text-to-image models trained on large volumes of image-text pairs have enabled the creation of rich and diverse images encompassing many genres and themes. Moreover, popular styles such as “anime” or “steampunk”, when added to the input text prompt, may translate to specific visual outputs. While many efforts have been put into prompt engineering, a wide range of styles are simply hard to describe in text form due to the nuances of color schemes, illumination, and other characteristics. As an example, “watercolor painting” may refer to various styles, and using a text prompt that simply says “watercolor painting style” may either result in one specific style or an unpredictable mix of several. When we …  ( 92 min )

Public key cryptography uses two keys: a private key and a public key. The nature of these keys depends on the encryption scheme, such as whether one is using RSA, ECC, or some other method, but you can think of a key as a long number. A key may be a short list of numbers, […] What is the point of a public key fingerprint? first appeared on John D. Cook.  ( 5 min )

These days, it is as if AI is just about GenAI (generative AI), LLMs (large language models) and very large models. It has eclipsed computer vision, voice AI and everything else. Part of the success of trillion-parameter models is that they are over-parametrized. That is, many different parameter combinations lead to good enough solutions. In… Read More »Beyond LLMs and Trillion-Parameter Models The post Beyond LLMs and Trillion-Parameter Models appeared first on Data Science Central.  ( 22 min )

We are excited to announce the launch of Amazon DocumentDB (with MongoDB compatibility) integration with Amazon SageMaker Canvas, allowing Amazon DocumentDB customers to build and use generative AI and machine learning (ML) solutions without writing code. Amazon DocumentDB is a fully managed native JSON document database that makes it straightforward and cost-effective to operate critical […]  ( 9 min )

“Minimum viewing time” benchmark gauges image recognition complexity for AI systems by measuring the time needed for accurate human identification.  ( 11 min )

Using generative AI, MIT chemists created a model that can predict the structures formed when a chemical reaction reaches its point of no return.  ( 9 min )

Uncertainty quantification is critical for deploying deep neural networks (DNNs) in real-world applications. An Auxiliary Uncertainty Estimator (AuxUE) is one of the most effective means to estimate the uncertainty of the main task prediction without modifying the main task model. To be considered robust, an AuxUE must be capable of maintaining its performance and triggering higher uncertainties while encountering Out-of-Distribution (OOD) inputs, i.e., to provide robust aleatoric and epistemic uncertainty. However, for vision regression tasks, current AuxUE designs are mainly adopted for aleatoric uncertainty estimates, and AuxUE robustness has not been explored. In this work, we propose a generalized AuxUE scheme for more robust uncertainty quantification on regression tasks. Concretely, to achieve a more robust aleatoric uncertainty estimation, different distribution assumptions are considered for heteroscedastic noise, and Laplace distribution is finally chosen to approximate the prediction error. For epistemic uncertainty, we propose a novel solution named Discretization-Induced Dirichlet pOsterior (DIDO), which models the Dirichlet posterior on the discretized prediction error. Extensive experiments on age estimation, monocular depth estimation, and super-resolution tasks show that our proposed method can provide robust uncertainty estimates in the face of noisy inputs and that it can be scalable to both image-level and pixel-wise tasks. Code is available at https://github.com/ENSTA-U2IS/DIDO .  ( 3 min )

Reinforcement Learning (RL) has emerged as a highly effective technique for addressing various scientific and applied problems. Despite its success, certain complex tasks remain challenging to be addressed solely with a single model and algorithm. In response, ensemble reinforcement learning (ERL), a promising approach that combines the benefits of both RL and ensemble learning (EL), has gained widespread popularity. ERL leverages multiple models or training algorithms to comprehensively explore the problem space and possesses strong generalization capabilities. In this study, we present a comprehensive survey on ERL to provide readers with an overview of recent advances and challenges in the field. Firstly, we provide an introduction to the background and motivation for ERL. Secondly, we conduct a detailed analysis of strategies such as model selection and combination that have been successfully implemented in ERL. Subsequently, we explore the application of ERL, summarize the datasets, and analyze the algorithms employed. Finally, we outline several open questions and discuss future research directions of ERL. By offering guidance for future scientific research and engineering applications, this survey significantly contributes to the advancement of ERL.  ( 2 min )

Generative Artificial Intelligence (AI) is one of the most exciting developments in Computer Science of the last decade. At the same time, Reinforcement Learning (RL) has emerged as a very successful paradigm for a variety of machine learning tasks. In this survey, we discuss the state of the art, opportunities and open research questions in applying RL to generative AI. In particular, we will discuss three types of applications, namely, RL as an alternative way for generation without specified objectives; as a way for generating outputs while concurrently maximizing an objective function; and, finally, as a way of embedding desired characteristics, which cannot be easily captured by means of an objective function, into the generative process. We conclude the survey with an in-depth discussion of the opportunities and challenges in this fascinating emerging area.  ( 2 min )

Efficient computation or approximation of Levenshtein distance, a widely-used metric for evaluating sequence similarity, has attracted significant attention with the emergence of DNA storage and other biological applications. Sequence embedding, which maps Levenshtein distance to a conventional distance between embedding vectors, has emerged as a promising solution. In this paper, a novel neural network-based sequence embedding technique using Poisson regression is proposed. We first provide a theoretical analysis of the impact of embedding dimension on model performance and present a criterion for selecting an appropriate embedding dimension. Under this embedding dimension, the Poisson regression is introduced by assuming the Levenshtein distance between sequences of fixed length following a Poisson distribution, which naturally aligns with the definition of Levenshtein distance. Moreover, from the perspective of the distribution of embedding distances, Poisson regression approximates the negative log likelihood of the chi-squared distribution and offers advancements in removing the skewness. Through comprehensive experiments on real DNA storage data, we demonstrate the superior performance of the proposed method compared to state-of-the-art approaches.  ( 2 min )

In distributed training, communication often emerges as a bottleneck. In response, we introduce Kimad, a solution that offers adaptive gradient compression. By consistently monitoring bandwidth, Kimad refines compression ratios to match specific neural network layer requirements. Our exhaustive tests and proofs confirm Kimad's outstanding performance, establishing it as a benchmark in adaptive compression for distributed deep learning.  ( 2 min )

In recent years, the security issues of artificial intelligence have become increasingly prominent due to the rapid development of deep learning research and applications. Backdoor attack is an attack targeting the vulnerability of deep learning models, where hidden backdoors are activated by triggers embedded by the attacker, thereby outputting malicious predictions that may not align with the intended output for a given input. In this work, we propose a novel black-box backdoor attack based on machine unlearning. The attacker first augments the training set with carefully designed samples, including poison and mitigation data, to train a `benign' model. Then, the attacker posts unlearning requests for the mitigation samples to remove the impact of relevant data on the model, gradually activating the hidden backdoor. Since backdoors are implanted during the iterative unlearning process, it significantly increases the computational overhead of existing defense methods for backdoor detection or mitigation. To address this new security threat, we proposes two methods for detecting or mitigating such malicious unlearning requests. We conduct the experiment in both exact unlearning and approximate unlearning (i.e., SISA) settings. Experimental results indicate that: 1) our attack approach can successfully implant backdoor into the model, and sharding increases the difficult of attack; 2) our detection algorithms are effective in identifying the mitigation samples, while sharding reduces the effectiveness of our detection algorithms.  ( 2 min )

Quantum neural networks (QNNs) and quantum kernels stand as prominent figures in the realm of quantum machine learning, poised to leverage the nascent capabilities of near-term quantum computers to surmount classical machine learning challenges. Nonetheless, the training efficiency challenge poses a limitation on both QNNs and quantum kernels, curbing their efficacy when applied to extensive datasets. To confront this concern, we present a unified approach: coreset selection, aimed at expediting the training of QNNs and quantum kernels by distilling a judicious subset from the original training dataset. Furthermore, we analyze the generalization error bounds of QNNs and quantum kernels when trained on such coresets, unveiling the comparable performance with those training on the complete original dataset. Through systematic numerical simulations, we illuminate the potential of coreset selection in expediting tasks encompassing synthetic data classification, identification of quantum correlations, and quantum compiling. Our work offers a useful way to improve diverse quantum machine learning models with a theoretical guarantee while reducing the training cost.  ( 2 min )

The standard approach to verify representations learned by Deep Neural Networks is to use them in specific tasks such as classification or regression, and measure their performance based on accuracy in such tasks. However, in many cases, we would want to verify more complex properties of a learned representation. To do this, we propose a framework based on a probabilistic first-order language, namely, Hybrid Markov Logic Networks (HMLNs) where we specify properties over embeddings mixed with symbolic domain knowledge. We present an approach to learn parameters for the properties within this framework. Further, we develop a verification method to test embeddings in this framework by encoding this task as a Mixed Integer Linear Program for which we can leverage existing state-of-the-art solvers. We illustrate verification in Graph Neural Networks, Deep Knowledge Tracing and Intelligent Tutoring Systems to demonstrate the generality of our approach.  ( 2 min )

Diabetic Retinopathy (DR) is a prevalent illness associated with Diabetes which, if left untreated, can result in irreversible blindness. Deep Learning based systems are gradually being introduced as automated support for clinical diagnosis. Since healthcare has always been an extremely important domain demanding error-free performance, any adversaries could pose a big threat to the applicability of such systems. In this work, we use Universal Adversarial Perturbations (UAPs) to quantify the vulnerability of Medical Deep Neural Networks (DNNs) for detecting DR. To the best of our knowledge, this is the very first attempt that works on attacking complete fine-grained classification of DR images using various UAPs. Also, as a part of this work, we use UAPs to fine-tune the trained models to defend against adversarial samples. We experiment on several models and observe that the performance of such models towards unseen adversarial attacks gets boosted on average by $3.41$ Cohen-kappa value and maximum by $31.92$ Cohen-kappa value. The performance degradation on normal data upon ensembling the fine-tuned models was found to be statistically insignificant using t-test, highlighting the benefits of UAP-based adversarial fine-tuning.  ( 2 min )

Local explanation methods highlight the input tokens that have a considerable impact on the outcome of classifying the document at hand. For example, the Anchor algorithm applies a statistical analysis of the sensitivity of the classifier to changes in the token. Aggregating local explanations over a dataset provides a global explanation of the model. Such aggregation aims to detect words with the most impact, giving valuable insights about the model, like what it has learned in training and which adversarial examples expose its weaknesses. However, standard aggregation methods bear a high computational cost: a na\"ive implementation applies a costly algorithm to each token of each document, and hence, it is infeasible for a simple user running in the scope of a short analysis session. % We devise techniques for accelerating the global aggregation of the Anchor algorithm. Specifically, our goal is to compute a set of top-$k$ words with the highest global impact according to different aggregation functions. Some of our techniques are lossless and some are lossy. We show that for a very mild loss of quality, we are able to accelerate the computation by up to 30$\times$, reducing the computation from hours to minutes. We also devise and study a probabilistic model that accounts for noise in the Anchor algorithm and diminishes the bias toward words that are frequent yet low in impact.  ( 2 min )

We study statistical watermarking by formulating it as a hypothesis testing problem, a general framework which subsumes all previous statistical watermarking methods. Key to our formulation is a coupling of the output tokens and the rejection region, realized by pseudo-random generators in practice, that allows non-trivial trade-off between the Type I error and Type II error. We characterize the Uniformly Most Powerful (UMP) watermark in this context. In the most common scenario where the output is a sequence of $n$ tokens, we establish matching upper and lower bounds on the number of i.i.d. tokens required to guarantee small Type I and Type II errors. Our rate scales as $\Theta(h^{-1} \log (1/h))$ with respect to the average entropy per token $h$ and thus greatly improves the $O(h^{-2})$ rate in the previous works. For scenarios where the detector lacks knowledge of the model's distribution, we introduce the concept of model-agnostic watermarking and establish the minimax bounds for the resultant increase in Type II error. Moreover, we formulate the robust watermarking problem where user is allowed to perform a class of perturbation on the generated texts, and characterize the optimal type II error of robust UMP tests via a linear programming problem. To the best of our knowledge, this is the first systematic statistical treatment on the watermarking problem with near-optimal rates in the i.i.d. setting, and might be of interest for future works.  ( 3 min )

We develop $(\epsilon,\delta)$-differentially private projection-depth-based medians using the propose-test-release (PTR) and exponential mechanisms. Under general conditions on the input parameters and the population measure, (e.g. we do not assume any moment bounds), we quantify the probability the test in PTR fails, as well as the cost of privacy via finite sample deviation bounds. We demonstrate our main result on the canonical projection-depth-based median. In the Gaussian setting, we show that the resulting deviation bound matches the known lower bound for private Gaussian mean estimation, up to a polynomial function of the condition number of the covariance matrix. In the Cauchy setting, we show that the ``outlier error amplification'' effect resulting from the heavy tails outweighs the cost of privacy. This result is then verified via numerical simulations. Additionally, we present results on general PTR mechanisms and a uniform concentration result on the projected spacings of order statistics.  ( 2 min )

This study presents a deep learning-based approach to seismic velocity inversion problem, focusing on both noisy and noiseless training datasets of varying sizes. Our Seismic Velocity Inversion Network (SVInvNet) introduces a novel architecture that contains a multi-connection encoder-decoder structure enhanced with dense blocks. This design is specifically tuned to effectively process complex information, crucial for addressing the challenges of non-linear seismic velocity inversion. For training and testing, we created diverse seismic velocity models, including multi-layered, faulty, and salt dome categories. We also investigated how different kinds of ambient noise, both coherent and stochastic, and the size of the training dataset affect learning outcomes. SVInvNet is trained on datasets ranging from 750 to 6,000 samples and is tested using a large benchmark dataset of 12,000 samples. Despite its fewer parameters compared to the baseline, SVInvNet achieves superior performance with this dataset. The outcomes of the SVInvNet are additionally compared to those of the Full Waveform Inversion (FWI) method. The comparative analysis clearly reveals the effectiveness of the proposed model.  ( 2 min )

In the standard formulation of the denoising problem, one is given a probabilistic model relating a latent variable $\Theta \in \Omega \subset \mathbb{R}^m \; (m\ge 1)$ and an observation $Z \in \mathbb{R}^d$ according to: $Z \mid \Theta \sim p(\cdot\mid \Theta)$ and $\Theta \sim G^*$, and the goal is to construct a map to recover the latent variable from the observation. The posterior mean, a natural candidate for estimating $\Theta$ from $Z$, attains the minimum Bayes risk (under the squared error loss) but at the expense of over-shrinking the $Z$, and in general may fail to capture the geometric features of the prior distribution $G^*$ (e.g., low dimensionality, discreteness, sparsity, etc.). To rectify these drawbacks, in this paper we take a new perspective on this denoising problem that is inspired by optimal transport (OT) theory and use it to propose a new OT-based denoiser at the population level setting. We rigorously prove that, under general assumptions on the model, our OT-based denoiser is well-defined and unique, and is closely connected to solutions to a Monge OT problem. We then prove that, under appropriate identifiability assumptions on the model, our OT-based denoiser can be recovered solely from information of the marginal distribution of $Z$ and the posterior mean of the model, after solving a linear relaxation problem over a suitable space of couplings that is reminiscent of a standard multimarginal OT (MOT) problem. In particular, thanks to Tweedie's formula, when the likelihood model $\{ p(\cdot \mid \theta) \}_{\theta \in \Omega}$ is an exponential family of distributions, the OT-based denoiser can be recovered solely from the marginal distribution of $Z$. In general, our family of OT-like relaxations is of interest in its own right and for the denoising problem suggests alternative numerical methods inspired by the rich literature on computational OT.  ( 3 min )

Reinforcement learning (RL) theory has largely focused on proving minimax sample complexity bounds. These require strategic exploration algorithms that use relatively limited function classes for representing the policy or value function. Our goal is to explain why deep RL algorithms often perform well in practice, despite using random exploration and much more expressive function classes like neural networks. Our work arrives at an explanation by showing that many stochastic MDPs can be solved by performing only a few steps of value iteration on the random policy's Q function and then acting greedily. When this is true, we find that it is possible to separate the exploration and learning components of RL, making it much easier to analyze. We introduce a new RL algorithm, SQIRL, that iteratively learns a near-optimal policy by exploring randomly to collect rollouts and then performing a limited number of steps of fitted-Q iteration over those rollouts. Any regression algorithm that satisfies basic in-distribution generalization properties can be used in SQIRL to efficiently solve common MDPs. This can explain why deep RL works neural networks, since it is empirically established that neural networks generalize well in-distribution. Furthermore, SQIRL explains why random exploration works well in practice, since we show many environments can be solved by estimating the random policy's Q-function and then applying zero or a few steps of value iteration. We leverage SQIRL to derive instance-dependent sample complexity bounds for RL that are exponential only in an "effective horizon" of lookahead and on the complexity of the class used for function approximation. Empirically, we also find that SQIRL performance strongly correlates with PPO and DQN performance in a variety of stochastic environments, supporting that our theoretical analysis is predictive of practical performance.  ( 3 min )

We present a new method for functional tissue unit segmentation at the cellular level, which utilizes the latest deep learning semantic segmentation approaches together with domain adaptation and semi-supervised learning techniques. This approach allows for minimizing the domain gap, class imbalance, and captures settings influence between HPA and HubMAP datasets. The presented approach achieves comparable with state-of-the-art-result in functional tissue unit segmentation at the cellular level. The source code is available at https://github.com/VSydorskyy/hubmap_2022_htt_solution  ( 2 min )

As research in human-centered NLP advances, there is a growing recognition of the importance of incorporating human and social factors into NLP models. At the same time, our NLP systems have become heavily reliant on LLMs, most of which do not model authors. To build NLP systems that can truly understand human language, we must better integrate human contexts into LLMs. This brings to the fore a range of design considerations and challenges in terms of what human aspects to capture, how to represent them, and what modeling strategies to pursue. To address these, we advocate for three positions toward creating large human language models (LHLMs) using concepts from psychological and behavioral sciences: First, LM training should include the human context. Second, LHLMs should recognize that people are more than their group(s). Third, LHLMs should be able to account for the dynamic and temporally-dependent nature of the human context. We refer to relevant advances and present open challenges that need to be addressed and their possible solutions in realizing these goals.  ( 2 min )

In today's digital landscape, journalists urgently require tools to verify the authenticity of facial images and videos depicting specific public figures before incorporating them into news stories. Existing deepfake detectors are not optimized for this detection task when an image is associated with a specific and identifiable individual. This study focuses on the deepfake detection of facial images of individual public figures. We propose to condition the proposed detector on the identity of the identified individual given the advantages revealed by our theory-driven simulations. While most detectors in the literature rely on perceptible or imperceptible artifacts present in deepfake facial images, we demonstrate that the detection performance can be improved by exploiting the idempotency property of neural networks. In our approach, the training process involves double neural-network operations where we pass an authentic image through a deepfake simulating network twice. Experimental results show that the proposed method improves the area under the curve (AUC) from 0.92 to 0.94 and reduces its standard deviation by 17\%. For evaluating the detection performance of individual public figures, a facial image dataset with individuals' names is required, a criterion not met by the current deepfake datasets. To address this, we curated a dataset comprising 32k images featuring 45 public figures, which we intend to release to the public after the paper is published.  ( 2 min )

We consider decentralized learning for zero-sum games, where players only see their payoff information and are agnostic to actions and payoffs of the opponent. Previous works demonstrated convergence to a Nash equilibrium in this setting using double time-scale algorithms under strong reachability assumptions. We address the open problem of achieving an approximate Nash equilibrium efficiently with an uncoupled and single time-scale algorithm under weaker conditions. Our contribution is a rational and convergent algorithm, utilizing Tsallis-entropy regularization in a value-iteration-based approach. The algorithm learns an approximate Nash equilibrium in polynomial time, requiring only the existence of a policy pair that induces an irreducible and aperiodic Markov chain, thus considerably weakening past assumptions. Our analysis leverages negative drift inequalities and introduces novel properties of Tsallis entropy that are of independent interest.  ( 2 min )

Real-time machine learning object detection algorithms are often found within autonomous vehicle technology and depend on quality datasets. It is essential that these algorithms work correctly in everyday conditions as well as under strong sun glare. Reports indicate glare is one of the two most prominent environment-related reasons for crashes. However, existing datasets, such as the Laboratory for Intelligent & Safe Automobiles Traffic Sign (LISA) Dataset and the German Traffic Sign Recognition Benchmark, do not reflect the existence of sun glare at all. This paper presents the GLARE (GLARE is available at: https://github.com/NicholasCG/GLARE_Dataset ) traffic sign dataset: a collection of images with U.S-based traffic signs under heavy visual interference by sunlight. GLARE contains 2,157 images of traffic signs with sun glare, pulled from 33 videos of dashcam footage of roads in the United States. It provides an essential enrichment to the widely used LISA Traffic Sign dataset. Our experimental study shows that although several state-of-the-art baseline architectures have demonstrated good performance on traffic sign detection in conditions without sun glare in the past, they performed poorly when tested against GLARE (e.g., average mAP0.5:0.95 of 19.4). We also notice that current architectures have better detection when trained on images of traffic signs in sun glare performance (e.g., average mAP0.5:0.95 of 39.6), and perform best when trained on a mixture of conditions (e.g., average mAP0.5:0.95 of 42.3).

Semantic segmentation is a common task in autonomous driving to understand the surrounding environment. Driveable Area Segmentation and Lane Detection are particularly important for safe and efficient navigation on the road. However, original semantic segmentation models are computationally expensive and require high-end hardware, which is not feasible for embedded systems in autonomous vehicles. This paper proposes a lightweight model for the driveable area and lane line segmentation. TwinLiteNet is designed cheaply but achieves accurate and efficient segmentation results. We evaluate TwinLiteNet on the BDD100K dataset and compare it with modern models. Experimental results show that our TwinLiteNet performs similarly to existing approaches, requiring significantly fewer computational resources. Specifically, TwinLiteNet achieves a mIoU score of 91.3% for the Drivable Area task and 31.08% IoU for the Lane Detection task with only 0.4 million parameters and achieves 415 FPS on GPU RTX A5000. Furthermore, TwinLiteNet can run in real-time on embedded devices with limited computing power, especially since it achieves 60FPS on Jetson Xavier NX, making it an ideal solution for self-driving vehicles. Code is available: url{https://github.com/chequanghuy/TwinLiteNet}.

Symmetry detection, especially partial and extrinsic symmetry, is essential for various downstream tasks, like 3D geometry completion, segmentation, compression and structure-aware shape encoding or generation. In order to detect partial extrinsic symmetries, we propose to learn rotation, reflection, translation and scale invariant local shape features for geodesic point cloud patches via contrastive learning, which are robust across multiple classes and generalize over different datasets. We show that our approach is able to extract multiple valid solutions for this ambiguous problem. Furthermore, we introduce a novel benchmark test for partial extrinsic symmetry detection to evaluate our method. Lastly, we incorporate the detected symmetries together with a region growing algorithm to demonstrate a downstream task with the goal of computing symmetry-aware partitions of 3D shapes. To our knowledge, we are the first to propose a self-supervised data-driven method for partial extrinsic symmetry detection.

This paper proposes a blockchain-secured deep reinforcement learning (BC-DRL) optimization framework for {data management and} resource allocation in decentralized {wireless mobile edge computing (MEC)} networks. In our framework, {we design a low-latency reputation-based proof-of-stake (RPoS) consensus protocol to select highly reliable blockchain-enabled BSs to securely store MEC user requests and prevent data tampering attacks.} {We formulate the MEC resource allocation optimization as a constrained Markov decision process that balances minimum processing latency and denial-of-service (DoS) probability}. {We use the MEC aggregated features as the DRL input to significantly reduce the high-dimensionality input of the remaining service processing time for individual MEC requests. Our designed constrained DRL effectively attains the optimal resource allocations that are adapted to the dynamic DoS requirements. We provide extensive simulation results and analysis to} validate that our BC-DRL framework achieves higher security, reliability, and resource utilization efficiency than benchmark blockchain consensus protocols and {MEC} resource allocation algorithms.  ( 2 min )

Over the past year, data-driven global weather forecasting has emerged as a new alternative to traditional numerical weather prediction. This innovative approach yields forecasts of comparable accuracy at a tiny fraction of computational costs. Regrettably, as far as I know, existing models exclusively rely on regression losses, producing forecasts with substantial blurring. Such blurring, although compromises practicality, enjoys an unfair advantage on evaluation metrics. In this paper, I present Kunyu, a global data-driven weather forecasting model which delivers accurate predictions across a comprehensive array of atmospheric variables at 0.35{\deg} resolution. With both regression and adversarial losses integrated in its training framework, Kunyu generates forecasts with enhanced clarity and realism. Its performance outpaces even ECMWF HRES in some aspects such as the estimation of anomaly extremes, while remaining competitive with ECMWF HRES on evaluation metrics such as RMSE and ACC. Kunyu is an important step forward in closing the utility gap between numerical and data-driven weather prediction.

When the data used for reinforcement learning (RL) are collected by multiple agents in a distributed manner, federated versions of RL algorithms allow collaborative learning without the need for agents to share their local data. In this paper, we consider federated Q-learning, which aims to learn an optimal Q-function by periodically aggregating local Q-estimates trained on local data alone. Focusing on infinite-horizon tabular Markov decision processes, we provide sample complexity guarantees for both the synchronous and asynchronous variants of federated Q-learning. In both cases, our bounds exhibit a linear speedup with respect to the number of agents and near-optimal dependencies on other salient problem parameters. In the asynchronous setting, existing analyses of federated Q-learning, which adopt an equally weighted averaging of local Q-estimates, require that every agent covers the entire state-action space. In contrast, our improved sample complexity scales inverse proportionally to the minimum entry of the average stationary state-action occupancy distribution of all agents, thus only requiring the agents to collectively cover the entire state-action space, unveiling the blessing of heterogeneity in enabling collaborative learning by relaxing the coverage requirement of the single-agent case. However, its sample complexity still suffers when the local trajectories are highly heterogeneous. In response, we propose a novel federated Q-learning algorithm with importance averaging, giving larger weights to more frequently visited state-action pairs, which achieves a robust linear speedup as if all trajectories are centrally processed, regardless of the heterogeneity of local behavior policies.

Federated Learning (FL) is a distributed machine learning paradigm that addresses privacy concerns in machine learning and still guarantees high test accuracy. However, achieving the necessary accuracy by having all clients participate in FL is impractical, given the constraints of client local computing resource. In this paper, we introduce a multi-user collaborative computing framework, categorizing users into two roles: model owners (MOs) and data owner (DOs). Without resorting to monetary incentives, an MO can encourage more DOs to join in FL by allowing the DOs to offload extra local computing tasks to the MO for execution. This exchange of "data" for "computing resources" streamlines the incentives for clients to engage more effectively in FL. We formulate the interaction between MO and DOs as an optimization problem, and the objective is to effectively utilize the communication and computing resource of the MO and DOs to minimize the time to complete an FL task. The proposed problem is a mixed integer nonlinear programming (MINLP) with high computational complexity. We first decompose it into two distinct subproblems, namely the client selection problem and the resource allocation problem to segregate the integer variables from the continuous variables. Then, an effective iterative algorithm is proposed to solve problem. Simulation results demonstrate that the proposed collaborative computing framework can achieve an accuracy of more than 95\% while minimizing the overall time to complete an FL task.

Several recent works use positional encodings to extend the receptive fields of graph neural network (GNN) layers equipped with attention mechanisms. These techniques, however, extend receptive fields to the complete graph, at substantial computational cost and risking a change in the inductive biases of conventional GNNs, or require complex architecture adjustments. As a conservative alternative, we use positional encodings to expand receptive fields to $r$-hop neighborhoods. More specifically, our method augments the input graph with additional nodes/edges and uses positional encodings as node and/or edge features. We thus modify graphs before inputting them to a downstream GNN model, instead of modifying the model itself. This makes our method model-agnostic, i.e., compatible with any of the existing GNN architectures. We also provide examples of positional encodings that are lossless with a one-to-one map between the original and the modified graphs. We demonstrate that extending receptive fields via positional encodings and a virtual fully-connected node significantly improves GNN performance and alleviates over-squashing using small $r$. We obtain improvements on a variety of models and datasets and reach competitive performance using traditional GNNs or graph Transformers.

Influenced mixed moving average fields are a versatile modeling class for spatio-temporal data. However, their predictive distribution is not generally known. Under this modeling assumption, we define a novel spatio-temporal embedding and a theory-guided machine learning approach that employs a generalized Bayesian algorithm to make ensemble forecasts. We employ Lipschitz predictors and determine fixed-time and any-time PAC Bayesian bounds in the batch learning setting. Performing causal forecast is a highlight of our methodology as its potential application to data with spatial and temporal short and long-range dependence. We then test the performance of our learning methodology by using linear predictors and data sets simulated from a spatio-temporal Ornstein-Uhlenbeck process.

Post-training quantization (PTQ) has driven attention to producing efficient large language models (LLMs) with ultra-low costs. Since hand-craft quantization parameters lead to low performance in low-bit quantization, recent methods optimize the quantization parameters through block-wise reconstruction between the floating-point and quantized models. However, these methods suffer from two challenges: accumulated errors from independent one-by-one block quantization and reconstruction difficulties from extreme weight and activation outliers. To address these two challenges, we propose CBQ, a cross-block reconstruction-based PTQ method for LLMs. To reduce error accumulation, we introduce a cross-block dependency with the aid of a homologous reconstruction scheme to build the long-range dependency between adjacent multi-blocks with overlapping. To reduce reconstruction difficulty, we design a coarse-to-fine pre-processing (CFP) to truncate weight outliers and dynamically scale activation outliers before optimization, and an adaptive rounding scheme, called LoRA-Rounding, with two low-rank learnable matrixes to further rectify weight quantization errors. Extensive experiments demonstrate that: (1) CBQ pushes both activation and weight quantization to low-bit settings W4A4, W4A8, and W2A16. (2) CBQ achieves better performance than the existing state-of-the-art methods on various LLMs and benchmark datasets.

Efficient probability density estimation is a core challenge in statistical machine learning. Tensor-based probabilistic graph methods address interpretability and stability concerns encountered in neural network approaches. However, a substantial number of potential tensor permutations can lead to a tensor network with the same structure but varying expressive capabilities. In this paper, we take tensor ring decomposition for density estimator, which significantly reduces the number of permutation candidates while enhancing expressive capability compared with existing used decompositions. Additionally, a mixture model that incorporates multiple permutation candidates with adaptive weights is further designed, resulting in increased expressive flexibility and comprehensiveness. Different from the prevailing directions of tensor network structure/permutation search, our approach provides a new viewpoint inspired by ensemble learning. This approach acknowledges that suboptimal permutations can offer distinctive information besides that of optimal permutations. Experiments show the superiority of the proposed approach in estimating probability density for moderately dimensional datasets and sampling to capture intricate details.

Legal Judgment Prediction (LJP) is a judicial assistance system that recommends the legal components such as applicable statues, prison term and penalty term by analyzing the given input case document. Indian legal system is in the need of technical assistance such as artificial intelligence to solve the crores of pending cases in various courts for years and its being increased day to day. Most of the existing Indian models did not adequately concentrate on the semantics embedded in the fact description (FD) that impacts the decision. The proposed semantic extraction based LJP (SLJP) model provides the advantages of pretrained transformers for complex unstructured legal case document understanding and to generate embeddings. The model draws the in-depth semantics of the given FD at multiple levels i.e., chunk and case document level by following the divide and conquer approach. It creates the concise view of the given fact description using the extracted semantics as per the original court case document structure and predicts judgment using attention mechanism. We tested the model performance on two available Indian datasets Indian Legal Documents corpus (ILDC) and Indian Legal Statue Identification (ILSI) and got promising results. Also shown the highest performance and less performance degradation for increased epochs than base models on ILDC dataset.

We propose a novel combinatorial stochastic-greedy bandit (SGB) algorithm for combinatorial multi-armed bandit problems when no extra information other than the joint reward of the selected set of $n$ arms at each time step $t\in [T]$ is observed. SGB adopts an optimized stochastic-explore-then-commit approach and is specifically designed for scenarios with a large set of base arms. Unlike existing methods that explore the entire set of unselected base arms during each selection step, our SGB algorithm samples only an optimized proportion of unselected arms and selects actions from this subset. We prove that our algorithm achieves a $(1-1/e)$-regret bound of $\mathcal{O}(n^{\frac{1}{3}} k^{\frac{2}{3}} T^{\frac{2}{3}} \log(T)^{\frac{2}{3}})$ for monotone stochastic submodular rewards, which outperforms the state-of-the-art in terms of the cardinality constraint $k$. Furthermore, we empirically evaluate the performance of our algorithm in the context of online constrained social influence maximization. Our results demonstrate that our proposed approach consistently outperforms the other algorithms, increasing the performance gap as $k$ grows.

Large language models such as GPT-3 & ChatGPT have transformed deep learning (DL), powering applications that have captured the public's imagination. These models are rapidly being adopted across domains for analytics on various modalities, often by finetuning pre-trained base models. Such models need multiple GPUs due to both their size and computational load, driving the development of a bevy of "model parallelism" techniques & tools. Navigating such parallelism choices, however, is a new burden for end users of DL such as data scientists, domain scientists, etc. who may lack the necessary systems knowhow. The need for model selection, which leads to many models to train due to hyper-parameter tuning or layer-wise finetuning, compounds the situation with two more burdens: resource apportioning and scheduling. In this work, we tackle these three burdens for DL users in a unified manner by formalizing them as a joint problem that we call SPASE: Select a Parallelism, Allocate resources, and SchedulE. We propose a new information system architecture to tackle the SPASE problem holistically, representing a key step toward enabling wider adoption of large DL models. We devise an extensible template for existing parallelism schemes and combine it with an automated empirical profiler for runtime estimation. We then formulate SPASE as an MILP. We find that direct use of an MILP-solver is significantly more effective than several baseline heuristics. We optimize the system runtime further with an introspective scheduling approach. We implement all these techniques into a new data system we call Saturn. Experiments with benchmark DL workloads show that Saturn achieves 39-49% lower model selection runtimes than typical current DL practice.

Recent works have studied implicit biases in deep learning, especially the behavior of last-layer features and classifier weights. However, they usually need to simplify the intermediate dynamics under gradient flow or gradient descent due to the intractability of loss functions and model architectures. In this paper, we introduce the unhinged loss, a concise loss function, that offers more mathematical opportunities to analyze the closed-form dynamics while requiring as few simplifications or assumptions as possible. The unhinged loss allows for considering more practical techniques, such as time-vary learning rates and feature normalization. Based on the layer-peeled model that views last-layer features as free optimization variables, we conduct a thorough analysis in the unconstrained, regularized, and spherical constrained cases, as well as the case where the neural tangent kernel remains invariant. To bridge the performance of the unhinged loss to that of Cross-Entropy (CE), we investigate the scenario of fixing classifier weights with a specific structure, (e.g., a simplex equiangular tight frame). Our analysis shows that these dynamics converge exponentially fast to a solution depending on the initialization of features and classifier weights. These theoretical results not only offer valuable insights, including explicit feature regularization and rescaled learning rates for enhancing practical training with the unhinged loss, but also extend their applicability to other loss functions. Finally, we empirically demonstrate these theoretical results and insights through extensive experiments.

The growth in Internet usage has contributed to a large volume of continuously available data, and has created the need for automatic and efficient organization of the data. In this context, text clustering techniques are significant because they aim to organize documents according to their characteristics. More specifically, hierarchical and incremental clustering techniques can organize dynamic data in a hierarchical form, thus guaranteeing that this organization is updated and its exploration is facilitated. Based on the relevance and contemporary nature of the field, this study aims to analyze various hierarchical and incremental clustering techniques; the main contribution of this research is the organization and comparison of the techniques used by studies published between 2010 and 2018 that aimed to texts documents clustering. We describe the principal concepts related to the challenge and the different characteristics of these published works in order to provide a better understanding of the research in this field.

We introduce OpenVoice, a versatile voice cloning approach that requires only a short audio clip from the reference speaker to replicate their voice and generate speech in multiple languages. OpenVoice represents a significant advancement in addressing the following open challenges in the field: 1) Flexible Voice Style Control. OpenVoice enables granular control over voice styles, including emotion, accent, rhythm, pauses, and intonation, in addition to replicating the tone color of the reference speaker. The voice styles are not directly copied from and constrained by the style of the reference speaker. Previous approaches lacked the ability to flexibly manipulate voice styles after cloning. 2) Zero-Shot Cross-Lingual Voice Cloning. OpenVoice achieves zero-shot cross-lingual voice cloning for languages not included in the massive-speaker training set. Unlike previous approaches, which typically require extensive massive-speaker multi-lingual (MSML) dataset for all languages, OpenVoice can clone voices into a new language without any massive-speaker training data for that language. OpenVoice is also computationally efficient, costing tens of times less than commercially available APIs that offer even inferior performance. To foster further research in the field, we have made the source code and trained model publicly accessible. We also provide qualitative results in our demo website. Prior to its public release, our internal version of OpenVoice was used tens of millions of times by users worldwide between May and October 2023, serving as the backend of MyShell.

The Multi-Reference Alignment (MRA) problem aims at the recovery of an unknown signal from repeated observations under the latent action of a group of cyclic isometries, in the presence of additive noise of high intensity $\sigma$. It is a more tractable version of the celebrated cryo EM model. In the crucial high noise regime, it is known that its sample complexity scales as $\sigma^6$. Recent investigations have shown that for the practically significant setting of sparse signals, the sample complexity of the maximum likelihood estimator asymptotically scales with the noise level as $\sigma^4$. In this work, we investigate minimax optimality for signal estimation under the MRA model for so-called collision-free signals. In particular, this signal class covers the setting of generic signals of dilute sparsity (wherein the support size $s=O(L^{1/3})$, where $L$ is the ambient dimension. We demonstrate that the minimax optimal rate of estimation in for the sparse MRA problem in this setting is $\sigma^2/\sqrt{n}$, where $n$ is the sample size. In particular, this widely generalizes the sample complexity asymptotics for the restricted MLE in this setting, establishing it as the statistically optimal estimator. Finally, we demonstrate a concentration inequality for the restricted MLE on its deviations from the ground truth.

In many real-world scenarios, it is crucial to be able to reliably and efficiently reason under uncertainty while capturing complex relationships in data. Probabilistic circuits (PCs), a prominent family of tractable probabilistic models, offer a remedy to this challenge by composing simple, tractable distributions into a high-dimensional probability distribution. However, learning PCs on heterogeneous data is challenging and densities of some parametric distributions are not available in closed form, limiting their potential use. We introduce characteristic circuits (CCs), a family of tractable probabilistic models providing a unified formalization of distributions over heterogeneous data in the spectral domain. The one-to-one relationship between characteristic functions and probability measures enables us to learn high-dimensional distributions on heterogeneous data domains and facilitates efficient probabilistic inference even when no closed-form density function is available. We show that the structure and parameters of CCs can be learned efficiently from the data and find that CCs outperform state-of-the-art density estimators for heterogeneous data domains on common benchmark data sets.

Artificial intelligence-enhanced identification of organs, lesions, and other structures in medical imaging is typically done using convolutional neural networks (CNNs) designed to make voxel-accurate segmentations of the region of interest. However, the labels required to train these CNNs are time-consuming to generate and require attention from subject matter experts to ensure quality. For tasks where voxel-level precision is not required, object detection models offer a viable alternative that can reduce annotation effort. Despite this potential application, there are few options for general purpose object detection frameworks available for 3-D medical imaging. We report on MedYOLO, a 3-D object detection framework using the one-shot detection method of the YOLO family of models and designed for use with medical imaging. We tested this model on four different datasets: BRaTS, LIDC, an abdominal organ Computed Tomography (CT) dataset, and an ECG-gated heart CT dataset. We found our models achieve high performance on commonly present medium and large-sized structures such as the heart, liver, and pancreas even without hyperparameter tuning. However, the models struggle with very small or rarely present structures.

We consider a variant of the stochastic multi-armed bandit problem. Specifically, the arms are strategic agents who can improve their rewards or absorb them. The utility of an agent increases if she is pulled more or absorbs more of her rewards but decreases if she spends more effort improving her rewards. Agents have heterogeneous properties, specifically having different means and able to improve their rewards up to different levels. Further, a non-empty subset of agents are ''honest'' and in the worst case always give their rewards without absorbing any part. The principal wishes to obtain a high revenue (cumulative reward) by designing a mechanism that incentives top level performance at equilibrium. At the same time, the principal wishes to be robust and obtain revenue at least at the level of the honest agent with the highest mean in case of non-equilibrium behaviour. We identify a class of MAB algorithms which we call performance incentivizing which satisfy a collection of properties and show that they lead to mechanisms that incentivize top level performance at equilibrium and are robust under any strategy profile. Interestingly, we show that UCB is an example of such a MAB algorithm. Further, in the case where the top performance level is unknown we show that combining second price auction ideas with performance incentivizing algorithms achieves performance at least at the second top level while also being robust.

Learning Nash equilibrium (NE) in complex zero-sum games with multi-agent reinforcement learning (MARL) can be extremely computationally expensive. Curriculum learning is an effective way to accelerate learning, but an under-explored dimension for generating a curriculum is the difficulty-to-learn of the subgames -- games induced by starting from a specific state. In this work, we present a novel subgame curriculum learning framework for zero-sum games. It adopts an adaptive initial state distribution by resetting agents to some previously visited states where they can quickly learn to improve performance. Building upon this framework, we derive a subgame selection metric that approximates the squared distance to NE values and further adopt a particle-based state sampler for subgame generation. Integrating these techniques leads to our new algorithm, Subgame Automatic Curriculum Learning (SACL), which is a realization of the subgame curriculum learning framework. SACL can be combined with any MARL algorithm such as MAPPO. Experiments in the particle-world environment and Google Research Football environment show SACL produces much stronger policies than baselines. In the challenging hide-and-seek quadrant environment, SACL produces all four emergent stages and uses only half the samples of MAPPO with self-play. The project website is at https://sites.google.com/view/sacl-rl.

The lattice Boltzmann method (LBM) has emerged as a prominent technique for solving fluid dynamics problems due to its algorithmic potential for computational scalability. We introduce XLB library, a Python-based differentiable LBM library based on the JAX platform. The architecture of XLB is predicated upon ensuring accessibility, extensibility, and computational performance, enabling scaling effectively across CPU, TPU, multi-GPU, and distributed multi-GPU or TPU systems. The library can be readily augmented with novel boundary conditions, collision models, or multi-physics simulation capabilities. XLB's differentiability and data structure is compatible with the extensive JAX-based machine learning ecosystem, enabling it to address physics-based machine learning, optimization, and inverse problems. XLB has been successfully scaled to handle simulations with billions of cells, achieving giga-scale lattice updates per second. XLB is released under the permissive Apache-2.0 license and is available on GitHub at https://github.com/Autodesk/XLB.

Compressing large neural networks with minimal performance loss is crucial to enabling their deployment on edge devices. (Cho et al., 2022) proposed a weight quantization method that uses an attention-based clustering algorithm called differentiable $k$-means (DKM). Despite achieving state-of-the-art results, DKM's performance is constrained by its heavy memory dependency. We propose an implicit, differentiable $k$-means algorithm (IDKM), which eliminates the major memory restriction of DKM. Let $t$ be the number of $k$-means iterations, $m$ be the number of weight-vectors, and $b$ be the number of bits per cluster address. IDKM reduces the overall memory complexity of a single $k$-means layer from $\mathcal{O}(t \cdot m \cdot 2^b)$ to $\mathcal{O}( m \cdot 2^b)$. We also introduce a variant, IDKM with Jacobian-Free-Backpropagation (IDKM-JFB), for which the time complexity of the gradient calculation is independent of $t$ as well. We provide a proof of concept of our methods by showing that, under the same settings, IDKM achieves comparable performance to DKM with less compute time and less memory. We also use IDKM and IDKM-JFB to quantize a large neural network, Resnet18, on hardware where DKM cannot train at all.

Although Gaussian processes (GPs) with deep kernels have been successfully used for meta-learning in regression tasks, its uncertainty estimation performance can be poor. We propose a meta-learning method for calibrating deep kernel GPs for improving regression uncertainty estimation performance with a limited number of training data. The proposed method meta-learns how to calibrate uncertainty using data from various tasks by minimizing the test expected calibration error, and uses the knowledge for unseen tasks. We design our model such that the adaptation and calibration for each task can be performed without iterative procedures, which enables effective meta-learning. In particular, a task-specific uncalibrated output distribution is modeled by a GP with a task-shared encoder network, and it is transformed to a calibrated one using a cumulative density function of a task-specific Gaussian mixture model (GMM). By integrating the GP and GMM into our neural network-based model, we can meta-learn model parameters in an end-to-end fashion. Our experiments demonstrate that the proposed method improves uncertainty estimation performance while keeping high regression performance compared with the existing methods using real-world datasets in few-shot settings.

Current state-of-the-art self-supervised approaches, are effective when trained on individual domains but show limited generalization on unseen domains. We observe that these models poorly generalize even when trained on a mixture of domains, making them unsuitable to be deployed under diverse real-world setups. We therefore propose a general-purpose, lightweight Domain Disentanglement Module (DDM) that can be plugged into any self-supervised encoder to effectively perform representation learning on multiple, diverse domains with or without shared classes. During pre-training according to a self-supervised loss, DDM enforces a disentanglement in the representation space by splitting it into a domain-variant and a domain-invariant portion. When domain labels are not available, DDM uses a robust clustering approach to discover pseudo-domains. We show that pre-training with DDM can show up to 3.5% improvement in linear probing accuracy on state-of-the-art self-supervised models including SimCLR, MoCo, BYOL, DINO, SimSiam and Barlow Twins on multi-domain benchmarks including PACS, DomainNet and WILDS. Models trained with DDM show significantly improved generalization (7.4%) to unseen domains compared to baselines. Therefore, DDM can efficiently adapt self-supervised encoders to provide high-quality, generalizable representations for diverse multi-domain data.

Forecast combination involves using multiple forecasts to create a single, more accurate prediction. Recently, feature-based forecasting has been employed to either select the most appropriate forecasting models or to optimize the weights of their combination. In this paper, we present a multi-task optimization paradigm that focuses on solving both problems simultaneously and enriches current operational research approaches to forecasting. In essence, it incorporates an additional learning and optimization task into the standard feature-based forecasting approach, focusing on the identification of an optimal set of forecasting methods. During the training phase, an optimization model with linear constraints and quadratic objective function is employed to identify accurate and diverse methods for each time series. Moreover, within the training phase, a neural network is used to learn the behavior of that optimization model. Once training is completed the candidate set of methods is identified using the network. The proposed approach elicits the essential role of diversity in feature-based forecasting and highlights the interplay between model combination and model selection when optimizing forecasting ensembles. Experimental results on a large set of series from the M4 competition dataset show that our proposal enhances point forecast accuracy compared to state-of-the-art methods.

Model editing techniques modify a minor proportion of knowledge in Large Language Models (LLMs) at a relatively low cost, which have demonstrated notable success. Existing methods assume Transformer Layer (TL) hidden states are values of key-value memories of the Feed-Forward Network (FFN). They usually optimize the TL hidden states to memorize target knowledge and use it to update the weights of the FFN in LLMs. However, the information flow of TL hidden states comes from three parts: Multi-Head Self-Attention (MHSA), FFN, and residual connections. Existing methods neglect the fact that the TL hidden states contains information not specifically required for FFN. Consequently, the performance of model editing decreases. To achieve more precise model editing, we analyze hidden states of MHSA and FFN, finding that MHSA encodes certain general knowledge extraction patterns. This implies that MHSA weights do not require updating when new knowledge is introduced. Based on above findings, we introduce PMET, which simultaneously optimizes Transformer Component (TC, namely MHSA and FFN) hidden states, while only using the optimized TC hidden states of FFN to precisely update FFN weights. Our experiments demonstrate that PMET exhibits state-of-the-art performance on both the COUNTERFACT and zsRE datasets. Our ablation experiments substantiate the effectiveness of our enhancements, further reinforcing the finding that the MHSA encodes certain general knowledge extraction patterns and indicating its storage of a small amount of factual knowledge. Our code is available at https://github.com/xpq-tech/PMET.

Modern reinforcement learning (RL) can be categorized into online and offline variants. As a pivotal aspect of both online and offline RL, current research on the Bellman equation revolves primarily around optimization techniques and performance enhancement rather than exploring the inherent structural properties of the Bellman error, such as its distribution characteristics. This study investigates the distribution of the Bellman approximation error through iterative exploration of the Bellman equation with the observation that the Bellman error approximately follows the Logistic distribution. Based on this, we proposed the utilization of the Logistic maximum likelihood function (LLoss) as an alternative to the commonly used mean squared error (MSELoss) that assumes a Normal distribution for Bellman errors. We validated the hypotheses through extensive numerical experiments across diverse online and offline environments. In particular, we applied the Logistic correction to loss functions in various RL baseline methods and observed that the results with LLoss consistently outperformed the MSE counterparts. We also conducted the Kolmogorov-Smirnov tests to confirm the reliability of the Logistic distribution. Moreover, our theory connects the Bellman error to the proportional reward scaling phenomenon by providing a distribution-based analysis. Furthermore, we applied the bias-variance decomposition for sampling from the Logistic distribution. The theoretical and empirical insights of this study lay a valuable foundation for future investigations and enhancements centered on the distribution of Bellman error.

Graph neural networks have emerged as a powerful tool for graph representation learning, but their performance heavily relies on abundant task-specific supervision. To reduce labeling requirement, the "pre-train, prompt" paradigms have become increasingly common. However, existing study of prompting on graphs is limited, lacking a universal treatment to appeal to different downstream tasks. In this paper, we propose GraphPrompt, a novel pre-training and prompting framework on graphs. GraphPrompt not only unifies pre-training and downstream tasks into a common task template but also employs a learnable prompt to assist a downstream task in locating the most relevant knowledge from the pre-trained model in a task-specific manner. To further enhance GraphPrompt in these two stages, we extend it into GraphPrompt+ with two major enhancements. First, we generalize several popular graph pre-training tasks beyond simple link prediction to broaden the compatibility with our task template. Second, we propose a more generalized prompt design that incorporates a series of prompt vectors within every layer of the pre-trained graph encoder, in order to capitalize on the hierarchical information across different layers beyond just the readout layer. Finally, we conduct extensive experiments on five public datasets to evaluate and analyze GraphPrompt and GraphPrompt+.

In recent years, federated learning (FL) has emerged as a promising approach for machine learning (ML) and data science across distributed edge devices. With the increasing popularity of FL, resource contention between multiple FL jobs training on the same device population is increasing as well. Scheduling edge resources among multiple FL jobs is different from GPU scheduling for cloud ML because of the ephemeral nature and planetary scale of participating devices as well as the overlapping resource requirements of diverse FL jobs. Existing resource managers for FL jobs opt for random assignment of devices to FL jobs for simplicity and scalability, which leads to poor performance. In this paper, we present Venn, an FL resource manager, that efficiently schedules ephemeral, heterogeneous devices among many FL jobs, with the goal of reducing their average job completion time (JCT). Venn formulates the Intersection Resource Scheduling (IRS) problem to identify complex resource contention among multiple FL jobs. Then, Venn proposes a contention-aware scheduling heuristic to minimize the average scheduling delay. Furthermore, it proposes a resource-aware device-to-job matching heuristic that focuses on optimizing response collection time by mitigating stragglers. Our evaluation shows that, compared to the state-of-the-art FL resource managers, Venn improves the average JCT by up to 1.88X.

Thompson sampling (TS) has been known for its outstanding empirical performance supported by theoretical guarantees across various reward models in the classical stochastic multi-armed bandit problems. Nonetheless, its optimality is often restricted to specific priors due to the common observation that TS is fairly insensitive to the choice of the prior when it comes to asymptotic regret bounds. However, when the model contains multiple parameters, the optimality of TS highly depends on the choice of priors, which casts doubt on the generalizability of previous findings to other models. To address this gap, this study explores the impact of selecting noninformative priors, offering insights into the performance of TS when dealing with new models that lack theoretical understanding. We first extend the regret analysis of TS to the model of uniform distributions with unknown supports, which would be the simplest non-regular model. Our findings reveal that changing noninformative priors can significantly affect the expected regret, aligning with previously known results in other multiparameter bandit models. Although the uniform prior is shown to be optimal, we highlight the inherent limitation of its optimality, which is limited to specific parameterizations and emphasizes the significance of the invariance property of priors. In light of this limitation, we propose a slightly modified TS-based policy, called TS with Truncation (TS-T), which can achieve the asymptotic optimality for the Gaussian models and the uniform models by using the reference prior and the Jeffreys prior that are invariant under one-to-one reparameterizations. This policy provides an alternative approach to achieving optimality by employing fine-tuned truncation, which would be much easier than hunting for optimal priors in practice.

Recent advances in computational modelling of atomic systems, spanning molecules, proteins, and materials, represent them as geometric graphs with atoms embedded as nodes in 3D Euclidean space. In these graphs, the geometric attributes transform according to the inherent physical symmetries of 3D atomic systems, including rotations and translations in Euclidean space, as well as node permutations. In recent years, Geometric Graph Neural Networks have emerged as the preferred machine learning architecture powering applications ranging from protein structure prediction to molecular simulations and material generation. Their specificity lies in the inductive biases they leverage -- such as physical symmetries and chemical properties -- to learn informative representations of these geometric graphs. In this opinionated paper, we provide a comprehensive and self-contained overview of the field of Geometric GNNs for 3D atomic systems. We cover fundamental background material and introduce a pedagogical taxonomy of Geometric GNN architectures:(1) invariant networks, (2) equivariant networks in Cartesian basis, (3) equivariant networks in spherical basis, and (4) unconstrained networks. Additionally, we outline key datasets and application areas and suggest future research directions. The objective of this work is to present a structured perspective on the field, making it accessible to newcomers and aiding practitioners in gaining an intuition for its mathematical abstractions.

The evaluation of large language models (LLMs) is crucial to assess their performance and mitigate potential security risks. In this paper, we introduce PromptBench, a unified library to evaluate LLMs. It consists of several key components that are easily used and extended by researchers: prompt construction, prompt engineering, dataset and model loading, adversarial prompt attack, dynamic evaluation protocols, and analysis tools. PromptBench is designed to be an open, general, and flexible codebase for research purposes that can facilitate original study in creating new benchmarks, deploying downstream applications, and designing new evaluation protocols. The code is available at: https://github.com/microsoft/promptbench and will be continuously supported.

Equivariant neural networks have considerably improved the accuracy and data-efficiency of predictions of molecular properties. Building on this success, we introduce EquiReact, an equivariant neural network to infer properties of chemical reactions, built from three-dimensional structures of reactants and products. We illustrate its competitive performance on the prediction of activation barriers on the GDB7-22-TS, Cyclo-23-TS and Proparg-21-TS datasets with different regimes according to the inclusion of atom-mapping information. We show that, compared to state-of-the-art models for reaction property prediction, EquiReact offers: (i) a flexible model with reduced sensitivity between atom-mapping regimes, (ii) better extrapolation capabilities to unseen chemistries, (iii) impressive prediction errors for datasets exhibiting subtle variations in three-dimensional geometries of reactants/products, (iv) reduced sensitivity to geometry quality and (iv) excellent data efficiency.

Self-supervised learning (SSL) has shown impressive results in downstream classification tasks. However, there is limited work in understanding their failure modes and interpreting their learned representations. In this paper, we study the representation space of state-of-the-art self-supervised models including SimCLR, SwaV, MoCo, BYOL, DINO, SimSiam, VICReg and Barlow Twins. Without the use of class label information, we discover discriminative features that correspond to unique physical attributes in images, present mostly in correctly-classified representations. Using these features, we can compress the representation space by up to 40% without significantly affecting linear classification performance. We then propose Self-Supervised Representation Quality Score (or Q-Score), an unsupervised score that can reliably predict if a given sample is likely to be mis-classified during linear evaluation, achieving AUPRC of 91.45 on ImageNet-100 and 78.78 on ImageNet-1K. Q-Score can also be used as a regularization term on pre-trained encoders to remedy low-quality representations. Fine-tuning with Q-Score regularization can boost the linear probing accuracy of SSL models by up to 5.8% on ImageNet-100 and 3.7% on ImageNet-1K compared to their baselines. Finally, using gradient heatmaps and Salient ImageNet masks, we define a metric to quantify the interpretability of each representation. We show that discriminative features are strongly correlated to core attributes and, enhancing these features through Q-score regularization makes SSL representations more interpretable.

Graph-structured data can be found in numerous domains, yet the scarcity of labeled instances hinders its effective utilization of deep learning in many scenarios. Traditional unsupervised domain adaptation (UDA) strategies for graphs primarily hinge on adversarial learning and pseudo-labeling. These approaches fail to effectively leverage graph discriminative features, leading to class mismatching and unreliable label quality. To navigate these obstacles, we develop the Denoising and Nuclear-Norm Wasserstein Adaptation Network (DNAN). DNAN employs the Nuclear-norm Wasserstein discrepancy (NWD), which can simultaneously achieve domain alignment and class distinguishment. DANA also integrates a denoising mechanism via a variational graph autoencoder that mitigates data noise. This denoising mechanism helps capture essential features of both source and target domains, improving the robustness of the domain adaptation process. Our comprehensive experiments demonstrate that DNAN outperforms state-of-the-art methods on standard UDA benchmarks for graph classification.

This study proposes a novel method for developing discretization-consistent closure schemes for implicitly filtered Large Eddy Simulation (LES). Here, the induced filter kernel, and thus the closure terms, are determined by the properties of the grid and the discretization operator, leading to additional computational subgrid terms that are generally unknown in a priori analysis. In this work, the task of adapting the coefficients of LES closure models is thus framed as a Markov decision process and solved in an a posteriori manner with Reinforcement Learning (RL). This optimization framework is applied to both explicit and implicit closure models. The explicit model is based on an element-local eddy viscosity model. The optimized model is found to adapt its induced viscosity within discontinuous Galerkin (DG) methods to homogenize the dissipation within an element by adding more viscosity near its center. For the implicit modeling, RL is applied to identify an optimal blending strategy for a hybrid DG and Finite Volume (FV) scheme. The resulting optimized discretization yields more accurate results in LES than either the pure DG or FV method and renders itself as a viable modeling ansatz that could initiate a novel class of high-order schemes for compressible turbulence by combining turbulence modeling with shock capturing in a single framework. All newly derived models achieve accurate results that either match or outperform traditional models for different discretizations and resolutions. Overall, the results demonstrate that the proposed RL optimization can provide discretization-consistent closures that could reduce the uncertainty in implicitly filtered LES.

As the size of large language models (LLMs) continues to grow, model compression without sacrificing accuracy has become a crucial challenge for deployment. While some quantization methods, such as GPTQ, have made progress in achieving acceptable 4-bit weight-only quantization, attempts at lower-bit quantization often result in severe performance degradation. In this paper, we introduce a technique called norm tweaking, which can be used as a plugin in current PTQ methods to achieve high precision while being cost-efficient. Our approach is inspired by the observation that rectifying the quantized activation distribution to match its float counterpart can readily restore accuracy for LLMs. To achieve this, we carefully design a tweaking strategy that includes calibration data generation and channel-wise distance constraint to update the weights of normalization layers for better generalization. We conduct extensive experiments on various datasets using several open-sourced LLMs. Our method demonstrates significant improvements in both weight-only quantization and joint quantization of weights and activations, surpassing existing PTQ methods. On GLM-130B and OPT-66B, our method even achieves the same level of accuracy at 2-bit quantization as their float ones. Our simple and effective approach makes it more practical for real-world applications.

Azure Cognitive Search (ACS) has emerged as a major contender in "Search as a Service" cloud products in recent years. However, one of the major challenges for ACS users is to improve the relevance of the search results for their specific usecases. In this paper, we propose a novel method to find the optimal ACS configuration that maximizes search relevance for a specific usecase (product search, document search...) The proposed solution improves key online marketplace metrics such as click through rates (CTR) by formulating the search relevance problem as hyperparameter tuning. We have observed significant improvements in real-world search call to action (CTA) rate in multiple marketplaces by introducing optimized weights generated from the proposed approach.

Large Language Models (LLMs) have gained considerable traction within the Software Engineering (SE) community, impacting various SE tasks from code completion to test generation, from program repair to code summarization. Despite their promise, researchers must still be careful as numerous intricate factors can influence the outcomes of experiments involving LLMs. This paper initiates an open discussion on potential threats to the validity of LLM-based research including issues such as closed-source models, possible data leakage between LLM training data and research evaluation, and the reproducibility of LLM-based findings. In response, this paper proposes a set of guidelines tailored for SE researchers and Language Model (LM) providers to mitigate these concerns. The implications of the guidelines are illustrated using existing good practices followed by LLM providers and a practical example for SE researchers in the context of test case generation.

Recovering the latent factors of variation of high dimensional data has so far focused on simple synthetic settings. Mostly building on unsupervised and weakly-supervised objectives, prior work missed out on the positive implications for representation learning on real world data. In this work, we propose to leverage knowledge extracted from a diversified set of supervised tasks to learn a common disentangled representation. Assuming each supervised task only depends on an unknown subset of the factors of variation, we disentangle the feature space of a supervised multi-task model, with features activating sparsely across different tasks and information being shared as appropriate. Importantly, we never directly observe the factors of variations but establish that access to multiple tasks is sufficient for identifiability under sufficiency and minimality assumptions. We validate our approach on six real world distribution shift benchmarks, and different data modalities (images, text), demonstrating how disentangled representations can be transferred to real settings.

The representations of the activation space of deep neural networks (DNNs) are widely utilized for tasks like natural language processing, anomaly detection and speech recognition. Due to the diverse nature of these tasks and the large size of DNNs, an efficient and task-independent representation of activations becomes crucial. Empirical p-values have been used to quantify the relative strength of an observed node activation compared to activations created by already-known inputs. Nonetheless, keeping raw data for these calculations increases memory resource consumption and raises privacy concerns. To this end, we propose a model-agnostic framework for creating representations of activations in DNNs using node-specific histograms to compute p-values of observed activations without retaining already-known inputs. Our proposed approach demonstrates promising potential when validated with multiple network architectures across various downstream tasks and compared with the kernel density estimates and brute-force empirical baselines. In addition, the framework reduces memory usage by 30% with up to 4 times faster p-value computing time while maintaining state of-the-art detection power in downstream tasks such as the detection of adversarial attacks and synthesized content. Moreover, as we do not persist raw data at inference time, we could potentially reduce susceptibility to attacks and privacy issues.

Rationale discovery is defined as finding a subset of the input data that maximally supports the prediction of downstream tasks. In graph machine learning context, graph rationale is defined to locate the critical subgraph in the given graph topology, which fundamentally determines the prediction results. In contrast to the rationale subgraph, the remaining subgraph is named the environment subgraph. Graph rationalization can enhance the model performance as the mapping between the graph rationale and prediction label is viewed as invariant, by assumption. To ensure the discriminative power of the extracted rationale subgraphs, a key technique named "intervention" is applied. The core idea of intervention is that given any changing environment subgraphs, the semantics from the rationale subgraph is invariant, which guarantees the correct prediction result. However, most, if not all, of the existing rationalization works on graph data develop their intervention strategies on the graph level, which is coarse-grained. In this paper, we propose well-tailored intervention strategies on graph data. Our idea is driven by the development of Transformer models, whose self-attention module provides rich interactions between input nodes. Based on the self-attention module, our proposed invariant graph Transformer (IGT) can achieve fine-grained, more specifically, node-level and virtual node-level intervention. Our comprehensive experiments involve 7 real-world datasets, and the proposed IGT shows significant performance advantages compared to 13 baseline methods.

Deep generative models have made tremendous progress in modeling complex data, often exhibiting generation quality that surpasses a typical human's ability to discern the authenticity of samples. Undeniably, a key driver of this success is enabled by the massive amounts of web-scale data consumed by these models. Due to these models' striking performance and ease of availability, the web will inevitably be increasingly populated with synthetic content. Such a fact directly implies that future iterations of generative models must contend with the reality that their training is curated from both clean data and artificially generated data from past models. In this paper, we develop a framework to rigorously study the impact of training generative models on mixed datasets (of real and synthetic data) on their stability. We first prove the stability of iterative training under the condition that the initial generative models approximate the data distribution well enough and the proportion of clean training data (w.r.t. synthetic data) is large enough. We empirically validate our theory on both synthetic and natural images by iteratively training normalizing flows and state-of-the-art diffusion models on CIFAR10 and FFHQ.

Despite Graph neural networks' significant performance gain over many classic techniques in various graph-related downstream tasks, their successes are restricted in shallow models due to over-smoothness and the difficulties of optimizations among many other issues. In this paper, to alleviate the over-smoothing issue, we propose a soft graph normalization method to preserve the diversities of node embeddings and prevent indiscrimination due to possible over-closeness. Combined with residual connections, we analyze the reason why the method can effectively capture the knowledge in both input graph structures and node features even with deep networks. Additionally, inspired by Curriculum Learning that learns easy examples before the hard ones, we propose a novel label-smoothing-based learning framework to enhance the optimization of deep GNNs, which iteratively smooths labels in an auxiliary graph and constructs many gradual non-smooth tasks for extracting increasingly complex knowledge and gradually discriminating nodes from coarse to fine. The method arguably reduces the risk of overfitting and generalizes better results. Finally, extensive experiments are carried out to demonstrate the effectiveness and potential of the proposed model and learning framework through comparison with twelve existing baselines including the state-of-the-art methods on twelve real-world node classification benchmarks.

Unsupervised domain adaptation uses source data from different distributions to solve the problem of classifying data from unlabeled target domains. However, conventional methods require access to source data, which often raise concerns about data privacy. In this paper, we consider a more practical but challenging setting where the source domain data is unavailable and the target domain data is unlabeled. Specifically, we address the domain discrepancy problem from the perspective of contrastive learning. The key idea of our work is to learn a domain-invariant feature by 1) performing clustering directly in the original feature space with nearest neighbors; 2) constructing truly hard negative pairs by extended neighbors without introducing additional computational complexity; and 3) combining noise-contrastive estimation theory to gain computational advantage. We conduct careful ablation studies and extensive experiments on three common benchmarks: VisDA, Office-Home, and Office-31. The results demonstrate the superiority of our methods compared with other state-of-the-art works.

Energy-based models (EBMs) are generative models inspired by statistical physics with a wide range of applications in unsupervised learning. Their performance is best measured by the cross-entropy (CE) of the model distribution relative to the data distribution. Using the CE as the objective for training is however challenging because the computation of its gradient with respect to the model parameters requires sampling the model distribution. Here we show how results for nonequilibrium thermodynamics based on Jarzynski equality together with tools from sequential Monte-Carlo sampling can be used to perform this computation efficiently and avoid the uncontrolled approximations made using the standard contrastive divergence algorithm. Specifically, we introduce a modification of the unadjusted Langevin algorithm (ULA) in which each walker acquires a weight that enables the estimation of the gradient of the cross-entropy at any step during GD, thereby bypassing sampling biases induced by slow mixing of ULA. We illustrate these results with numerical experiments on Gaussian mixture distributions as well as the MNIST dataset. We show that the proposed approach outperforms methods based on the contrastive divergence algorithm in all the considered situations.

Efficient traffic signal control is critical for reducing traffic congestion and improving overall transportation efficiency. The dynamic nature of traffic flow has prompted researchers to explore Reinforcement Learning (RL) for traffic signal control (TSC). Compared with traditional methods, RL-based solutions have shown preferable performance. However, the application of RL-based traffic signal controllers in the real world is limited by the low sample efficiency and high computational requirements of these solutions. In this work, we propose DTLight, a simple yet powerful lightweight Decision Transformer-based TSC method that can learn policy from easily accessible offline datasets. DTLight novelly leverages knowledge distillation to learn a lightweight controller from a well-trained larger teacher model to reduce implementation computation. Additionally, it integrates adapter modules to mitigate the expenses associated with fine-tuning, which makes DTLight practical for online adaptation with minimal computation and only a few fine-tuning steps during real deployment. Moreover, DTLight is further enhanced to be more applicable to real-world TSC problems. Extensive experiments on synthetic and real-world scenarios show that DTLight pre-trained purely on offline datasets can outperform state-of-the-art online RL-based methods in most scenarios. Experiment results also show that online fine-tuning further improves the performance of DTLight by up to 42.6% over the best online RL baseline methods. In this work, we also introduce Datasets specifically designed for TSC with offline RL (referred to as DTRL). Our datasets and code are publicly available.

This paper introduces an innovative method for reducing the computational complexity of deep neural networks in real-time speech enhancement on resource-constrained devices. The proposed approach utilizes a two-stage processing framework, employing channelwise feature reorientation to reduce the computational load of convolutional operations. By combining this with a modified power law compression technique for enhanced perceptual quality, this approach achieves noise suppression performance comparable to state-of-the-art methods with significantly less computational requirements. Notably, our algorithm exhibits 3 to 4 times less computational complexity and memory usage than prior state-of-the-art approaches.

As the popularity of deep learning (DL) in the field of magnetic resonance imaging (MRI) continues to rise, recent research has indicated that DL-based MRI reconstruction models might be excessively sensitive to minor input disturbances, including worst-case additive perturbations. This sensitivity often leads to unstable, aliased images. This raises the question of how to devise DL techniques for MRI reconstruction that can be robust to train-test variations. To address this problem, we propose a novel image reconstruction framework, termed Smoothed Unrolling (SMUG), which advances a deep unrolling-based MRI reconstruction model using a randomized smoothing (RS)-based robust learning approach. RS, which improves the tolerance of a model against input noises, has been widely used in the design of adversarial defense approaches for image classification tasks. Yet, we find that the conventional design that applies RS to the entire DL-based MRI model is ineffective. In this paper, we show that SMUG and its variants address the above issue by customizing the RS process based on the unrolling architecture of a DL-based MRI reconstruction model. Compared to the vanilla RS approach, we show that SMUG improves the robustness of MRI reconstruction with respect to a diverse set of instability sources, including worst-case and random noise perturbations to input measurements, varying measurement sampling rates, and different numbers of unrolling steps. Furthermore, we theoretically analyze the robustness of our method in the presence of perturbations.

Deep learning models are known to suffer from the problem of bias, and researchers have been exploring methods to address this issue. However, most of these methods require prior knowledge of the bias and are not always practical. In this paper, we focus on a more practical setting with no prior information about the bias. Generally, in this setting, there are a large number of bias-aligned samples that cause the model to produce biased predictions and a few bias-conflicting samples that do not conform to the bias. If the training data is limited, the influence of the bias-aligned samples may become even stronger on the model predictions, and we experimentally demonstrate that existing debiasing techniques suffer severely in such cases. In this paper, we examine the effects of unknown bias in small dataset regimes and present a novel approach to mitigate this issue. The proposed approach directly addresses the issue of the extremely low occurrence of bias-conflicting samples in limited data settings through the synthesis of hybrid samples that can be used to reduce the effect of bias. We perform extensive experiments on several benchmark datasets and experimentally demonstrate the effectiveness of our proposed approach in addressing any unknown bias in the presence of limited data. Specifically, our approach outperforms the vanilla, LfF, LDD, and DebiAN debiasing methods by absolute margins of 10.39%, 9.08%, 8.07%, and 9.67% when only 10% of the Corrupted CIFAR-10 Type 1 dataset is available with a bias-conflicting sample ratio of 0.05.

Research on adversarial robustness is primarily focused on image and text data. Yet, many scenarios in which lack of robustness can result in serious risks, such as fraud detection, medical diagnosis, or recommender systems often do not rely on images or text but instead on tabular data. Adversarial robustness in tabular data poses two serious challenges. First, tabular datasets often contain categorical features, and therefore cannot be tackled directly with existing optimization procedures. Second, in the tabular domain, algorithms that are not based on deep networks are widely used and offer great performance, but algorithms to enhance robustness are tailored to neural networks (e.g. adversarial training). In this paper, we tackle both challenges. We present a method that allows us to train adversarially robust deep networks for tabular data and to transfer this robustness to other classifiers via universal robust embeddings tailored to categorical data. These embeddings, created using a bilevel alternating minimization framework, can be transferred to boosted trees or random forests making them robust without the need for adversarial training while preserving their high accuracy on tabular data. We show that our methods outperform existing techniques within a practical threat model suitable for tabular data.

Active learning can improve the efficiency of training prediction models by identifying the most informative new labels to acquire. However, non-response to label requests can impact active learning's effectiveness in real-world contexts. We conceptualise this degradation by considering the type of non-response present in the data, demonstrating that biased non-response is particularly detrimental to model performance. We argue that this sort of non-response is particularly likely in contexts where the labelling process, by nature, relies on user interactions. To mitigate the impact of biased non-response, we propose a cost-based correction to the sampling strategy--the Upper Confidence Bound of the Expected Utility (UCB-EU)--that can, plausibly, be applied to any active learning algorithm. Through experiments, we demonstrate that our method successfully reduces the harm from labelling non-response in many settings. However, we also characterise settings where the non-response bias in the annotations remains detrimental under UCB-EU for particular sampling methods and data generating processes. Finally, we evaluate our method on a real-world dataset from e-commerce platform Taobao. We show that UCB-EU yields substantial performance improvements to conversion models that are trained on clicked impressions. Most generally, this research serves to both better conceptualise the interplay between types of non-response and model improvements via active learning, and to provide a practical, easy to implement correction that helps mitigate model degradation.

Simple stochastic momentum methods are widely used in machine learning optimization, but their good practical performance is at odds with an absence of theoretical guarantees of acceleration in the literature. In this work, we aim to close the gap between theory and practice by showing that stochastic heavy ball momentum retains the fast linear rate of (deterministic) heavy ball momentum on quadratic optimization problems, at least when minibatching with a sufficiently large batch size. The algorithm we study can be interpreted as an accelerated randomized Kaczmarz algorithm with minibatching and heavy ball momentum. The analysis relies on carefully decomposing the momentum transition matrix, and using new spectral norm concentration bounds for products of independent random matrices. We provide numerical illustrations demonstrating that our bounds are reasonably sharp.

The standard Markov Decision Process (MDP) formulation hinges on the assumption that an action is executed immediately after it was chosen. However, assuming it is often unrealistic and can lead to catastrophic failures in applications such as robotic manipulation, cloud computing, and finance. We introduce a framework for learning and planning in MDPs where the decision-maker commits actions that are executed with a delay of $m$ steps. The brute-force state augmentation baseline where the state is concatenated to the last $m$ committed actions suffers from an exponential complexity in $m$, as we show for policy iteration. We then prove that with execution delay, deterministic Markov policies in the original state-space are sufficient for attaining maximal reward, but need to be non-stationary. As for stationary Markov policies, we show they are sub-optimal in general. Consequently, we devise a non-stationary Q-learning style model-based algorithm that solves delayed execution tasks without resorting to state-augmentation. Experiments on tabular, physical, and Atari domains reveal that it converges quickly to high performance even for substantial delays, while standard approaches that either ignore the delay or rely on state-augmentation struggle or fail due to divergence. The code is available at github.com/galdl/rl_delay_basic and github.com/galdl/rl_delay_atari.

In physics, density $\rho(\cdot)$ is a fundamentally important scalar function to model, since it describes a scalar field or a probability density function that governs a physical process. Modeling $\rho(\cdot)$ typically scales poorly with parameter space, however, and quickly becomes prohibitively difficult and computationally expensive. One promising avenue to bypass this is to leverage the capabilities of denoising diffusion models often used in high-fidelity image generation to parameterize $\rho(\cdot)$ from existing scientific data, from which new samples can be trivially sampled from. In this paper, we propose $\rho$-Diffusion, an implementation of denoising diffusion probabilistic models for multidimensional density estimation in physics, which is currently in active development and, from our results, performs well on physically motivated 2D and 3D density functions. Moreover, we propose a novel hashing technique that allows $\rho$-Diffusion to be conditioned by arbitrary amounts of physical parameters of interest.

Generative models have gained popularity for their potential applications in imaging science, such as image reconstruction, posterior sampling and data sharing. Flow-based generative models are particularly attractive due to their ability to tractably provide exact density estimates along with fast, inexpensive and diverse samples. Training such models, however, requires a large, high quality dataset of objects. In applications such as computed imaging, it is often difficult to acquire such data due to requirements such as long acquisition time or high radiation dose, while acquiring noisy or partially observed measurements of these objects is more feasible. In this work, we propose AmbientFlow, a framework for learning flow-based generative models directly from noisy and incomplete data. Using variational Bayesian methods, a novel framework for establishing flow-based generative models from noisy, incomplete data is proposed. Extensive numerical studies demonstrate the effectiveness of AmbientFlow in learning the object distribution. The utility of AmbientFlow in a downstream inference task of image reconstruction is demonstrated.

The emergence of Graph Neural Networks (GNNs) in graph data analysis and their deployment on Machine Learning as a Service platforms have raised critical concerns about data misuse during model training. This situation is further exacerbated due to the lack of transparency in local training processes, potentially leading to the unauthorized accumulation of large volumes of graph data, thereby infringing on the intellectual property rights of data owners. Existing methodologies often address either data misuse detection or mitigation, and are primarily designed for local GNN models rather than cloud-based MLaaS platforms. These limitations call for an effective and comprehensive solution that detects and mitigates data misuse without requiring exact training data while respecting the proprietary nature of such data. This paper introduces a pioneering approach called GraphGuard, to tackle these challenges. We propose a training-data-free method that not only detects graph data misuse but also mitigates its impact via targeted unlearning, all without relying on the original training data. Our innovative misuse detection technique employs membership inference with radioactive data, enhancing the distinguishability between member and non-member data distributions. For mitigation, we utilize synthetic graphs that emulate the characteristics previously learned by the target model, enabling effective unlearning even in the absence of exact graph data. We conduct comprehensive experiments utilizing four real-world graph datasets to demonstrate the efficacy of GraphGuard in both detection and unlearning. We show that GraphGuard attains a near-perfect detection rate of approximately 100% across these datasets with various GNN models. In addition, it performs unlearning by eliminating the impact of the unlearned graph with a marginal decrease in accuracy (less than 5%).

Organising an AI challenge does not end with the final event. The long-lasting impact also needs to be organised. This chapter covers the various activities after the challenge is formally finished. The target audience of different post-challenge activities is identified. The various outputs of the challenge are listed with the means to collect them. The main part of the chapter is a template for a typical post-challenge paper, including possible graphs as well as advice on how to turn the challenge into a long-lasting benchmark.

Trajectory representation learning on a network enhances our understanding of vehicular traffic patterns and benefits numerous downstream applications. Existing approaches using classic machine learning or deep learning embed trajectories as dense vectors, which lack interpretability and are inefficient to store and analyze in downstream tasks. In this paper, an explainable trajectory representation learning framework through dictionary learning is proposed. Given a collection of trajectories on a network, it extracts a compact dictionary of commonly used subpaths called "pathlets", which optimally reconstruct each trajectory by simple concatenations. The resulting representation is naturally sparse and encodes strong spatial semantics. Theoretical analysis of our proposed algorithm is conducted to provide a probabilistic bound on the estimation error of the optimal dictionary. A hierarchical dictionary learning scheme is also proposed to ensure the algorithm's scalability on large networks, leading to a multi-scale trajectory representation. Our framework is evaluated on two large-scale real-world taxi datasets. Compared to previous work, the dictionary learned by our method is more compact and has better reconstruction rate for new trajectories. We also demonstrate the promising performance of this method in downstream tasks including trip time prediction task and data compression.

Differential privacy (DP) is a widely-accepted and widely-applied notion of privacy based on worst-case analysis. Often, DP classifies most mechanisms without additive noise as non-private (Dwork et al., 2014). Thus, additive noises are added to improve privacy (to achieve DP). However, in many real-world applications, adding additive noise is undesirable (Bagdasaryan et al., 2019) and sometimes prohibited (Liu et al., 2020). In this paper, we propose a natural extension of DP following the worst average-case idea behind the celebrated smoothed analysis (Spielman & Teng, May 2004). Our notion, smoothed DP, can effectively measure the privacy leakage of mechanisms without additive noises under realistic settings. We prove that any discrete mechanism with sampling procedures is more private than what DP predicts, while many continuous mechanisms with sampling procedures are still non-private under smoothed DP. In addition, we prove several desirable properties of smoothed DP, including composition, robustness to post-processing, and distribution reduction. Based on those properties, we propose an efficient algorithm to calculate the privacy parameters for smoothed DP. Experimentally, we verify that, according to smoothed DP, the discrete sampling mechanisms are private in real-world elections, and some discrete neural networks can be private without adding any additive noise. We believe that these results contribute to the theoretical foundation of realistic privacy measures beyond worst-case analysis.

Synthetic image datasets offer unmatched advantages for designing and evaluating deep neural networks: they make it possible to (i) render as many data samples as needed, (ii) precisely control each scene and yield granular ground truth labels (and captions), (iii) precisely control distribution shifts between training and testing to isolate variables of interest for sound experimentation. Despite such promise, the use of synthetic image data is still limited -- and often played down -- mainly due to their lack of realism. Most works therefore rely on datasets of real images, which have often been scraped from public images on the internet, and may have issues with regards to privacy, bias, and copyright, while offering little control over how objects precisely appear. In this work, we present a path to democratize the use of photorealistic synthetic data: we develop a new generation of interactive environments for representation learning research, that offer both controllability and realism. We use the Unreal Engine, a powerful game engine well known in the entertainment industry, to produce PUG (Photorealistic Unreal Graphics) environments and datasets for representation learning. In this paper, we demonstrate the potential of PUG to enable more rigorous evaluations of vision models.

Diffusion models have demonstrated robust data generation capabilities in various research fields. In this paper, a Time Series Diffusion Method (TSDM) is proposed for vibration signal generation, leveraging the foundational principles of diffusion models. The TSDM uses an improved U-net architecture with attention block to effectively segment and extract features from one-dimensional time series data. It operates based on forward diffusion and reverse denoising processes for time-series generation. Experimental validation is conducted using single-frequency, multi-frequency datasets, and bearing fault datasets. The results show that TSDM can accurately generate the single-frequency and multi-frequency features in the time series and retain the basic frequency features for the diffusion generation results of the bearing fault series. Finally, TSDM is applied to the small sample fault diagnosis of three public bearing fault datasets, and the results show that the accuracy of small sample fault diagnosis of the three datasets is improved by 32.380%, 18.355% and 9.298% at most, respectively

Recent advancements in large-scale pre-training of visual-language models on paired image-text data have demonstrated impressive generalization capabilities for zero-shot tasks. Building on this success, efforts have been made to adapt these image-based visual-language models, such as CLIP, for videos extending their zero-shot capabilities to the video domain. While these adaptations have shown promising results, they come at a significant computational cost and struggle with effectively modeling the crucial temporal aspects inherent to the video domain. In this study, we present EZ-CLIP, a simple and efficient adaptation of CLIP that addresses these challenges. EZ-CLIP leverages temporal visual prompting for seamless temporal adaptation, requiring no fundamental alterations to the core CLIP architecture while preserving its remarkable generalization abilities. Moreover, we introduce a novel learning objective that guides the temporal visual prompts to focus on capturing motion, thereby enhancing its learning capabilities from video data. We conducted extensive experiments on five different benchmark datasets, thoroughly evaluating EZ-CLIP for zero-shot learning and base-to-novel video action recognition, and also demonstrating its potential for few-shot generalization.Impressively, with a mere 5.2 million learnable parameters (as opposed to the 71.1 million in the prior best model), EZ-CLIP can be efficiently trained on a single GPU, outperforming existing approaches in several evaluations.

Since the objective functions of reinforcement learning problems are typically highly nonconvex, we seek guarantees that these algorithms escape saddle points and arrive at second-order stationary points. Existing results only consider vanilla policy gradient algorithms with unbiased gradient estimators, but practical implementations under the infinite-horizon discounted reward setting are biased due to finite-horizon sampling. Moreover, actor-critic methods, whose second-order convergence has not yet been established, are also biased due to the critic approximation of the value function. We provide a novel second-order analysis of biased policy gradient methods, including the vanilla gradient estimator computed from Monte-Carlo sampling of trajectories as well as the double-loop actor-critic algorithm, where in the inner loop the the critic parameter improves the approximation of the value function via TD(0) learning. Separately, we also establish the convergence of TD(0) on Markov chains irrespective of initial state distribution.

By now there is substantial evidence that deep learning models learn certain human-interpretable features as part of their internal representations of data. As having the right (or wrong) concepts is critical to trustworthy machine learning systems, it is natural to ask which inputs from the model's original training set were most important for learning a concept at a given layer. To answer this, we combine data attribution methods with methods for probing the concepts learned by a model. Training network and probe ensembles for two concept datasets on a range of network layers, we use the recently developed TRAK method for large-scale data attribution. We find some evidence for convergence, where removing the 10,000 top attributing images for a concept and retraining the model does not change the location of the concept in the network nor the probing sparsity of the concept. This suggests that rather than being highly dependent on a few specific examples, the features that inform the development of a concept are spread in a more diffuse manner across its exemplars, implying robustness in concept formation.

Fine-tuning language models~(LMs) on human-generated data remains a prevalent practice. However, the performance of such models is often limited by the quantity and diversity of high-quality human data. In this paper, we explore whether we can go beyond human data on tasks where we have access to scalar feedback, for example, on math problems where one can verify correctness. To do so, we investigate a simple self-training method based on expectation-maximization, which we call ReST$^{EM}$, where we (1) generate samples from the model and filter them using binary feedback, (2) fine-tune the model on these samples, and (3) repeat this process a few times. Testing on advanced MATH reasoning and APPS coding benchmarks using PaLM-2 models, we find that ReST$^{EM}$ scales favorably with model size and significantly surpasses fine-tuning only on human data. Overall, our findings suggest self-training with feedback can substantially reduce dependence on human-generated data.

Machine unlearning, the ability for a machine learning model to forget, is becoming increasingly important to comply with data privacy regulations, as well as to remove harmful, manipulated, or outdated information. The key challenge lies in forgetting specific information while protecting model performance on the remaining data. While current state-of-the-art methods perform well, they typically require some level of retraining over the retained data, in order to protect or restore model performance. This adds computational overhead and mandates that the training data remain available and accessible, which may not be feasible. In contrast, other methods employ a retrain-free paradigm, however, these approaches are prohibitively computationally expensive and do not perform on par with their retrain-based counterparts. We present Selective Synaptic Dampening (SSD), a novel two-step, post hoc, retrain-free approach to machine unlearning which is fast, performant, and does not require long-term storage of the training data. First, SSD uses the Fisher information matrix of the training and forgetting data to select parameters that are disproportionately important to the forget set. Second, SSD induces forgetting by dampening these parameters proportional to their relative importance to the forget set with respect to the wider training data. We evaluate our method against several existing unlearning methods in a range of experiments using ResNet18 and Vision Transformer. Results show that the performance of SSD is competitive with retrain-based post hoc methods, demonstrating the viability of retrain-free post hoc unlearning approaches.

Protein-ligand binding prediction is a fundamental problem in AI-driven drug discovery. Prior work focused on supervised learning methods using a large set of binding affinity data for small molecules, but it is hard to apply the same strategy to other drug classes like antibodies as labelled data is limited. In this paper, we explore unsupervised approaches and reformulate binding energy prediction as a generative modeling task. Specifically, we train an energy-based model on a set of unlabelled protein-ligand complexes using SE(3) denoising score matching and interpret its log-likelihood as binding affinity. Our key contribution is a new equivariant rotation prediction network called Neural Euler's Rotation Equations (NERE) for SE(3) score matching. It predicts a rotation by modeling the force and torque between protein and ligand atoms, where the force is defined as the gradient of an energy function with respect to atom coordinates. We evaluate NERE on protein-ligand and antibody-antigen binding affinity prediction benchmarks. Our model outperforms all unsupervised baselines (physics-based and statistical potentials) and matches supervised learning methods in the antibody case.

Accelerating material discovery holds the potential to greatly help mitigate the climate crisis. Discovering new solid-state materials such as electrocatalysts, super-ionic conductors or photovoltaic materials can have a crucial impact, for instance, in improving the efficiency of renewable energy production and storage. In this paper, we introduce Crystal-GFN, a generative model of crystal structures that sequentially samples structural properties of crystalline materials, namely the space group, composition and lattice parameters. This domain-inspired approach enables the flexible incorporation of physical and structural hard constraints, as well as the use of any available predictive model of a desired physicochemical property as an objective function. To design stable materials, one must target the candidates with the lowest formation energy. Here, we use as objective the formation energy per atom of a crystal structure predicted by a new proxy machine learning model trained on MatBench. The results demonstrate that Crystal-GFN is able to sample highly diverse crystals with low (median -3.1 eV/atom) predicted formation energy.

Large language models (LLMs) are useful in many NLP tasks and become more capable with size, with the best open-source models having over 50 billion parameters. However, using these 50B+ models requires high-end hardware, making them inaccessible to most researchers. In this work, we investigate methods for cost-efficient inference and fine-tuning of LLMs, comparing local and distributed strategies. We observe that a large enough model (50B+) can run efficiently even on geodistributed devices in a consumer-grade network. This could allow running LLM efficiently by pooling together idle compute resources of multiple research groups and volunteers. We address two open problems: (1) how to perform inference and fine-tuning reliably if any device can disconnect abruptly and (2) how to partition LLMs between devices with uneven hardware, joining and leaving at will. In order to do that, we develop special fault-tolerant inference algorithms and load-balancing protocols that automatically assign devices to maximize the total system throughput. We showcase these algorithms in Petals - a decentralized system that runs Llama 2 (70B) and BLOOM (176B) over the Internet up to 10x faster than offloading for interactive generation. We evaluate the performance of our system in simulated conditions and a real-world setup spanning two continents.

While large-scale unsupervised language models (LMs) learn broad world knowledge and some reasoning skills, achieving precise control of their behavior is difficult due to the completely unsupervised nature of their training. Existing methods for gaining such steerability collect human labels of the relative quality of model generations and fine-tune the unsupervised LM to align with these preferences, often with reinforcement learning from human feedback (RLHF). However, RLHF is a complex and often unstable procedure, first fitting a reward model that reflects the human preferences, and then fine-tuning the large unsupervised LM using reinforcement learning to maximize this estimated reward without drifting too far from the original model. In this paper we introduce a new parameterization of the reward model in RLHF that enables extraction of the corresponding optimal policy in closed form, allowing us to solve the standard RLHF problem with only a simple classification loss. The resulting algorithm, which we call Direct Preference Optimization (DPO), is stable, performant, and computationally lightweight, eliminating the need for sampling from the LM during fine-tuning or performing significant hyperparameter tuning. Our experiments show that DPO can fine-tune LMs to align with human preferences as well as or better than existing methods. Notably, fine-tuning with DPO exceeds PPO-based RLHF in ability to control sentiment of generations, and matches or improves response quality in summarization and single-turn dialogue while being substantially simpler to implement and train.

Domain generalization aims to train models on multiple source domains so that they can generalize well to unseen target domains. Among many domain generalization methods, Fourier-transform-based domain generalization methods have gained popularity primarily because they exploit the power of Fourier transformation to capture essential patterns and regularities in the data, making the model more robust to domain shifts. The mainstream Fourier-transform-based domain generalization swaps the Fourier amplitude spectrum while preserving the phase spectrum between the source and the target images. However, it neglects background interference in the amplitude spectrum. To overcome this limitation, we introduce a soft-thresholding function in the Fourier domain. We apply this newly designed algorithm to retinal fundus image segmentation, which is important for diagnosing ocular diseases but the neural network's performance can degrade across different sources due to domain shifts. The proposed technique basically enhances fundus image augmentation by eliminating small values in the Fourier domain and providing better generalization. The innovative nature of the soft thresholding fused with Fourier-transform-based domain generalization improves neural network models' performance by reducing the target images' background interference significantly. Experiments on public data validate our approach's effectiveness over conventional and state-of-the-art methods with superior segmentation metrics.

Faces generated using generative adversarial networks (GANs) have reached unprecedented realism. These faces, also known as "Deep Fakes", appear as realistic photographs with very little pixel-level distortions. While some work has enabled the training of models that lead to the generation of specific properties of the subject, generating a facial image based on a natural language description has not been fully explored. For security and criminal identification, the ability to provide a GAN-based system that works like a sketch artist would be incredibly useful. In this paper, we present a novel approach to generate facial images from semantic text descriptions. The learned model is provided with a text description and an outline of the type of face, which the model uses to sketch the features. Our models are trained using an Affine Combination Module (ACM) mechanism to combine the text embedding from BERT and the GAN latent space using a self-attention matrix. This avoids the loss of features due to inadequate "attention", which may happen if text embedding and latent vector are simply concatenated. Our approach is capable of generating images that are very accurately aligned to the exhaustive textual descriptions of faces with many fine detail features of the face and helps in generating better images. The proposed method is also capable of making incremental changes to a previously generated image if it is provided with additional textual descriptions or sentences.

Transferring latent structure from one environment or problem to another is a mechanism by which humans and animals generalize with very little data. Inspired by cognitive and neurobiological insights, we propose graph schemas as a mechanism of abstraction for transfer learning. Graph schemas start with latent graph learning where perceptually aliased observations are disambiguated in the latent space using contextual information. Latent graph learning is also emerging as a new computational model of the hippocampus to explain map learning and transitive inference. Our insight is that a latent graph can be treated as a flexible template -- a schema -- that models concepts and behaviors, with slots that bind groups of latent nodes to the specific observations or groundings. By treating learned latent graphs (schemas) as prior knowledge, new environments can be quickly learned as compositions of schemas and their newly learned bindings. We evaluate graph schemas on two previously published challenging tasks: the memory & planning game and one-shot StreetLearn, which are designed to test rapid task solving in novel environments. Graph schemas can be learned in far fewer episodes than previous baselines, and can model and plan in a few steps in novel variations of these tasks. We also demonstrate learning, matching, and reusing graph schemas in more challenging 2D and 3D environments with extensive perceptual aliasing and size variations, and show how different schemas can be composed to model larger and more complex environments. To summarize, our main contribution is a unified system, inspired and grounded in cognitive science, that facilitates rapid transfer learning of new environments using schemas via map-induction and composition that handles perceptual aliasing.

A major problem with Active Learning (AL) is high training costs since models are typically retrained from scratch after every query round. We start by demonstrating that standard AL on neural networks with warm starting fails, both to accelerate training and to avoid catastrophic forgetting when using fine-tuning over AL query rounds. We then develop a new class of techniques, circumventing this problem, by biasing further training towards previously labeled sets. We accomplish this by employing existing, and developing novel, replay-based Continual Learning (CL) algorithms that are effective at quickly learning the new without forgetting the old, especially when data comes from an evolving distribution. We call this paradigm Continual Active Learning (CAL). We show CAL achieves significant speedups using a plethora of replay schemes that use model distillation and that select diverse, uncertain points from the history. We conduct experiments across many data domains, including natural language, vision, medical imaging, and computational biology, each with different neural architectures and dataset sizes. CAL consistently provides a 3x reduction in training time, while retaining performance.

Robust Markov decision processes (MDPs) are used for applications of dynamic optimization in uncertain environments and have been studied extensively. Many of the main properties and algorithms of MDPs, such as value iteration and policy iteration, extend directly to RMDPs. Surprisingly, there is no known analog of the MDP convex optimization formulation for solving RMDPs. This work describes the first convex optimization formulation of RMDPs under the classical sa-rectangularity and s-rectangularity assumptions. By using entropic regularization and exponential change of variables, we derive a convex formulation with a number of variables and constraints polynomial in the number of states and actions, but with large coefficients in the constraints. We further simplify the formulation for RMDPs with polyhedral, ellipsoidal, or entropy-based uncertainty sets, showing that, in these cases, RMDPs can be reformulated as conic programs based on exponential cones, quadratic cones, and non-negative orthants. Our work opens a new research direction for RMDPs and can serve as a first step toward obtaining a tractable convex formulation of RMDPs.

Conformal prediction is a statistical tool for producing prediction regions of machine learning models that are valid with high probability. However, applying conformal prediction to time series data leads to conservative prediction regions. In fact, to obtain prediction regions over $T$ time steps with confidence $1-\delta$, {previous works require that each individual prediction region is valid} with confidence $1-\delta/T$. We propose an optimization-based method for reducing this conservatism to enable long horizon planning and verification when using learning-enabled time series predictors. Instead of considering prediction errors individually at each time step, we consider a parameterized prediction error over multiple time steps. By optimizing the parameters over an additional dataset, we find prediction regions that are not conservative. We show that this problem can be cast as a mixed integer linear complementarity program (MILCP), which we then relax into a linear complementarity program (LCP). Additionally, we prove that the relaxed LP has the same optimal cost as the original MILCP. Finally, we demonstrate the efficacy of our method on case studies using pedestrian trajectory predictors and F16 fighter jet altitude predictors.

Self-supervised learning (SSL) algorithms can produce useful image representations by learning to associate different parts of natural images with one another. However, when taken to the extreme, SSL models can unintendedly memorize specific parts in individual training samples rather than learning semantically meaningful associations. In this work, we perform a systematic study of the unintended memorization of image-specific information in SSL models -- which we refer to as d\'ej\`a vu memorization. Concretely, we show that given the trained model and a crop of a training image containing only the background (e.g., water, sky, grass), it is possible to infer the foreground object with high accuracy or even visually reconstruct it. Furthermore, we show that d\'ej\`a vu memorization is common to different SSL algorithms, is exacerbated by certain design choices, and cannot be detected by conventional techniques for evaluating representation quality. Our study of d\'ej\`a vu memorization reveals previously unknown privacy risks in SSL models, as well as suggests potential practical mitigation strategies. Code is available at https://github.com/facebookresearch/DejaVu.

Over the last five years, deep generative models have gradually been adopted for various tasks in biological research. Notably, image-to-image translation methods showed to be effective in revealing subtle phenotypic cell variations otherwise invisible to the human eye. Current methods to achieve this goal mainly rely on Generative Adversarial Networks (GANs). However, these models are known to suffer from some shortcomings such as training instability and mode collapse. Furthermore, the lack of robustness to invert a real image into the latent of a trained GAN prevents flexible editing of real images. In this work, we propose PhenDiff, an image-to-image translation method based on conditional diffusion models to identify subtle phenotypes in microscopy images. We evaluate this approach on biological datasets against previous work such as CycleGAN. We show that PhenDiff outperforms this baseline in terms of quality and diversity of the generated images. We then apply this method to display invisible phenotypic changes triggered by a rare neurodevelopmental disorder on microscopy images of organoids. Altogether, we demonstrate that PhenDiff is able to perform high quality biological image-to-image translation allowing to spot subtle phenotype variations on a real image.

Text-to-image (TTI) generative models can be used to generate photorealistic images from a given text-string input. These models offer great potential to mitigate challenges to the uptake of machine learning in the earth sciences. However, the rapid increase in their use has raised questions about fairness and biases, with most research to-date focusing on social and cultural areas rather than domain-specific considerations. We conducted a case study for the earth sciences, focusing on the field of fluvial geomorphology, where we evaluated subject-area specific biases in the training data and downstream model performance of Stable Diffusion (v1.5). In addition to perpetuating Western biases, we found that the training data over-represented scenic locations, such as famous rivers and waterfalls, and showed serious under- and over-representation of many morphological and environmental terms. Despite biased training data, we found that with careful prompting, the Stable Diffusion model was able to generate photorealistic synthetic river images reproducing many important environmental and morphological characteristics. Furthermore, conditional control techniques, such as the use of condition maps with ControlNet were effective for providing additional constraints on output images. Despite great potential for the use of TTI models in the earth sciences field, we advocate for caution in sensitive applications, and advocate for domain-specific reviews of training data and image generation biases to mitigate perpetuation of existing biases.

Brain-Computer Interface (BCI) systems allow users to perform actions by translating their brain activity into commands. Such systems usually need a training phase, consisting in training a classification algorithm to discriminate between mental states using specific features from the recorded signals. This phase of feature selection and training is crucial for BCI performance and presents specific constraints to be met in a clinical context, such as post-stroke rehabilitation. In this paper, we present HappyFeat, a software making Motor Imagery (MI) based BCI experiments easier, by gathering all necessary manipulations and analysis in a single convenient GUI and via automation of experiment or analysis parameters. The resulting workflow allows for effortlessly selecting the best features, helping to achieve good BCI performance in time-constrained environments. Alternative features based on Functional Connectivity can be used and compared or combined with Power Spectral Density, allowing a network-oriented approach. We then give details of HappyFeat's main mechanisms, and a review of its performances in typical use cases. We also show that it can be used as an efficient tool for comparing different metrics extracted from the signals, to train the classification algorithm. To this end, we show a comparison between the commonly-used Power Spectral Density and network metrics based on Functional Connectivity. HappyFeat is available as an open-source project which can be freely downloaded on GitHub.

Training a deep neural network to maximize a target objective has become the standard recipe for successful machine learning over the last decade. These networks can be optimized with supervised learning, if the target objective is differentiable. For many interesting problems, this is however not the case. Common objectives like intersection over union (IoU), bilingual evaluation understudy (BLEU) score or rewards cannot be optimized with supervised learning. A common workaround is to define differentiable surrogate losses, leading to suboptimal solutions with respect to the actual objective. Reinforcement learning (RL) has emerged as a promising alternative for optimizing deep neural networks to maximize non-differentiable objectives in recent years. Examples include aligning large language models via human feedback, code generation, object detection or control problems. This makes RL techniques relevant to the larger machine learning audience. The subject is, however, time intensive to approach due to the large range of methods, as well as the often very theoretical presentation. In this introduction, we take an alternative approach, different from classic reinforcement learning textbooks. Rather than focusing on tabular problems, we introduce reinforcement learning as a generalization of supervised learning, which we first apply to non-differentiable objectives and later to temporal problems. Assuming only basic knowledge of supervised learning, the reader will be able to understand state-of-the-art deep RL algorithms like proximal policy optimization (PPO) after reading this tutorial.

The recent end-to-end neural solvers have shown promise for small-scale routing problems but suffered from limited real-time scaling-up performance. This paper proposes GLOP (Global and Local Optimization Policies), a unified hierarchical framework that efficiently scales toward large-scale routing problems. GLOP partitions large routing problems into Travelling Salesman Problems (TSPs) and TSPs into Shortest Hamiltonian Path Problems. For the first time, we hybridize non-autoregressive neural heuristics for coarse-grained problem partitions and autoregressive neural heuristics for fine-grained route constructions, leveraging the scalability of the former and the meticulousness of the latter. Experimental results show that GLOP achieves competitive and state-of-the-art real-time performance on large-scale routing problems, including TSP, ATSP, CVRP, and PCTSP.

Safeguarding privacy in sensitive training data is paramount, particularly in the context of generative modeling. This is done through either differentially private stochastic gradient descent, or with a differentially private metric for training models or generators. In this paper, we introduce a novel differentially private generative modeling approach based on parameter-free gradient flows in the space of probability measures. The proposed algorithm is a new discretized flow which operates through a particle scheme, utilizing drift derived from the sliced Wasserstein distance and computed in a private manner. Our experiments show that compared to a generator-based model, our proposed model can generate higher-fidelity data at a low privacy budget, offering a viable alternative to generator-based approaches.

In today's online advertising markets, a crucial requirement for an advertiser is to control her total expenditure within a time horizon under some budget. Among various budget control methods, throttling has emerged as a popular choice, managing an advertiser's total expenditure by selecting only a subset of auctions to participate in. This paper provides a theoretical panorama of a single advertiser's dynamic budget throttling process in repeated second-price auctions. We first establish a lower bound on the regret and an upper bound on the asymptotic competitive ratio for any throttling algorithm, respectively, when the advertiser's values are stochastic and adversarial. Regarding the algorithmic side, we propose the OGD-CB algorithm, which guarantees a near-optimal expected regret with stochastic values. On the other hand, when values are adversarial, we prove that this algorithm also reaches the upper bound on the asymptotic competitive ratio. We further compare throttling with pacing, another widely adopted budget control method, in repeated second-price auctions. In the stochastic case, we demonstrate that pacing is generally superior to throttling for the advertiser, supporting the well-known result that pacing is asymptotically optimal in this scenario. However, in the adversarial case, we give an exciting result indicating that throttling is also an asymptotically optimal dynamic bidding strategy. Our results bridge the gaps in theoretical research of throttling in repeated auctions and comprehensively reveal the ability of this popular budget-smoothing strategy.

Atmospheric retrievals (AR) characterize exoplanets by estimating atmospheric parameters from observed light spectra, typically by framing the task as a Bayesian inference problem. However, traditional approaches such as nested sampling are computationally expensive, thus sparking an interest in solutions based on machine learning (ML). In this ongoing work, we first explore flow matching posterior estimation (FMPE) as a new ML-based method for AR and find that, in our case, it is more accurate than neural posterior estimation (NPE), but less accurate than nested sampling. We then combine both FMPE and NPE with importance sampling, in which case both methods outperform nested sampling in terms of accuracy and simulation efficiency. Going forward, our analysis suggests that simulation-based inference with likelihood-based importance sampling provides a framework for accurate and efficient AR that may become a valuable tool not only for the analysis of observational data from existing telescopes, but also for the development of new missions and instruments.

Machine Learning (ML) algorithms are powerful data-driven tools for approximating high-dimensional or non-linear nuisance functions which are useful in practice because the true functional form of the predictors is ex-ante unknown. In this paper, we develop estimators of policy interventions from panel data which allow for non-linear effects of the confounding regressors, and investigate the performance of these estimators using three well-known ML algorithms, specifically, LASSO, classification and regression trees, and random forests. We use Double Machine Learning (DML) (Chernozhukov et al., 2018) for the estimation of causal effects of homogeneous treatments with unobserved individual heterogeneity (fixed effects) and no unobserved confounding by extending Robinson (1988)'s partially linear regression model. We develop three alternative approaches for handling unobserved individual heterogeneity based on extending the within-group estimator, first-difference estimator, and correlated random effect estimator (Mundlak, 1978) for non-linear models. Using Monte Carlo simulations, we find that conventional least squares estimators can perform well even if the data generating process is non-linear, but there are substantial performance gains in terms of bias reduction under a process where the true effect of the regressors is non-linear and discontinuous. However, for the same scenarios, we also find -- despite extensive hyperparameter tuning -- inference to be problematic for both tree-based learners because these lead to highly non-normal estimator distributions and the estimator variance being severely under-estimated. This contradicts the performance of trees in other circumstances and requires further investigation. Finally, we provide an illustrative example of DML for observational panel data showing the impact of the introduction of the national minimum wage in the UK.

We propose a general optimization-based framework for computing differentially private M-estimators and a new method for constructing differentially private confidence regions. Firstly, we show that robust statistics can be used in conjunction with noisy gradient descent or noisy Newton methods in order to obtain optimal private estimators with global linear or quadratic convergence, respectively. We establish local and global convergence guarantees, under both local strong convexity and self-concordance, showing that our private estimators converge with high probability to a small neighborhood of the non-private M-estimators. Secondly, we tackle the problem of parametric inference by constructing differentially private estimators of the asymptotic variance of our private M-estimators. This naturally leads to approximate pivotal statistics for constructing confidence regions and conducting hypothesis testing. We demonstrate the effectiveness of a bias correction that leads to enhanced small-sample empirical performance in simulations. We illustrate the benefits of our methods in several numerical examples.

Causal abstraction (CA) theory establishes formal criteria for relating multiple structural causal models (SCMs) at different levels of granularity by defining maps between them. These maps have significant relevance for real-world challenges such as synthesizing causal evidence from multiple experimental environments, learning causally consistent representations at different resolutions, and linking interventions across multiple SCMs. In this work, we propose COTA, the first method to learn abstraction maps from observational and interventional data without assuming complete knowledge of the underlying SCMs. In particular, we introduce a multi-marginal Optimal Transport (OT) formulation that enforces do-calculus causal constraints, together with a cost function that relies on interventional information. We extensively evaluate COTA on synthetic and real world problems, and showcase its advantages over non-causal, independent and aggregated COTA formulations. Finally, we demonstrate the efficiency of our method as a data augmentation tool by comparing it against the state-of-the-art CA learning framework, which assumes fully specified SCMs, on a real-world downstream task.

Optical coherence tomography (OCT) is a non-invasive imaging technique with extensive clinical applications in ophthalmology. OCT enables the visualization of the retinal layers, playing a vital role in the early detection and monitoring of retinal diseases. OCT uses the principle of light wave interference to create detailed images of the retinal microstructures, making it a valuable tool for diagnosing ocular conditions. This work presents an open-access OCT dataset (OCTDL) comprising over 1600 high-resolution OCT images labeled according to disease group and retinal pathology. The dataset consists of OCT records of patients with Age-related Macular Degeneration (AMD), Diabetic Macular Edema (DME), Epiretinal Membrane (ERM), Retinal Artery Occlusion (RAO), Retinal Vein Occlusion (RVO), and Vitreomacular Interface Disease (VID). The images were acquired with an Optovue Avanti RTVue XR using raster scanning protocols with dynamic scan length and image resolution. Each retinal b-scan was acquired by centering on the fovea and interpreted and cataloged by an experienced retinal specialist. In this work, we applied Deep Learning classification techniques to this new open-access dataset.

Visual speech recognition models extract visual features in a hierarchical manner. At the lower level, there is a visual front-end with a limited temporal receptive field that processes the raw pixels depicting the lips or faces. At the higher level, there is an encoder that attends to the embeddings produced by the front-end over a large temporal receptive field. Previous work has focused on improving the visual front-end of the model to extract more useful features for speech recognition. Surprisingly, our work shows that complex visual front-ends are not necessary. Instead of allocating resources to a sophisticated visual front-end, we find that a linear visual front-end paired with a larger Conformer encoder results in lower latency, more efficient memory usage, and improved WER performance. We achieve a new state-of-the-art of 12.8% WER for visual speech recognition on the TED LRS3 dataset, which rivals the performance of audio-only models from just four years ago.

Given a large dataset for training, generative adversarial networks (GANs) can achieve remarkable performance for the image synthesis task. However, training GANs in extremely low data regimes remains a challenge, as overfitting often occurs, leading to memorization or training divergence. In this work, we introduce SIV-GAN, an unconditional generative model that can generate new scene compositions from a single training image or a single video clip. We propose a two-branch discriminator architecture, with content and layout branches designed to judge internal content and scene layout realism separately from each other. This discriminator design enables synthesis of visually plausible, novel compositions of a scene, with varying content and layout, while preserving the context of the original sample. Compared to previous single image GANs, our model generates more diverse, higher quality images, while not being restricted to a single image setting. We further introduce a new challenging task of learning from a few frames of a single video. In this training setup the training images are highly similar to each other, which makes it difficult for prior GAN models to achieve a synthesis of both high quality and diversity.

In Score based Generative Modeling (SGMs), the state-of-the-art in generative modeling, stochastic reverse processes are known to perform better than their deterministic counterparts. This paper delves into the heart of this phenomenon, comparing neural ordinary differential equations (ODEs) and neural stochastic differential equations (SDEs) as reverse processes. We use a control theoretic perspective by posing the approximation of the reverse process as a trajectory tracking problem. We analyze the ability of neural SDEs to approximate trajectories of the Fokker-Planck equation, revealing the advantages of stochasticity. First, neural SDEs exhibit a powerful regularizing effect, enabling $L^2$ norm trajectory approximation surpassing the Wasserstein metric approximation achieved by neural ODEs under similar conditions, even when the reference vector field or score function is not Lipschitz. Applying this result, we establish the class of distributions that can be sampled using score matching in SGMs, relaxing the Lipschitz requirement on the gradient of the data distribution in existing literature. Second, we show that this approximation property is preserved when network width is limited to the input dimension of the network. In this limited width case, the weights act as control inputs, framing our analysis as a controllability problem for neural SDEs in probability density space. This sheds light on how noise helps to steer the system towards the desired solution and illuminates the empirical success of stochasticity in generative modeling.

In practice, preference learning from human feedback depends on incomplete data with hidden context. Hidden context refers to data that affects the feedback received, but which is not represented in the data used to train a preference model. This captures common issues of data collection, such as having human annotators with varied preferences, cognitive processes that result in seemingly irrational behavior, and combining data labeled according to different criteria. We prove that standard applications of preference learning, including reinforcement learning from human feedback (RLHF), implicitly aggregate over hidden contexts according to a well-known voting rule called Borda count. We show this can produce counter-intuitive results that are very different from other methods which implicitly aggregate via expected utility. Furthermore, our analysis formalizes the way that preference learning from users with diverse values tacitly implements a social choice function. A key implication of this result is that annotators have an incentive to misreport their preferences in order to influence the learned model, leading to vulnerabilities in the deployment of RLHF. As a step towards mitigating these problems, we introduce a class of methods called distributional preference learning (DPL). DPL methods estimate a distribution of possible score values for each alternative in order to better account for hidden context. Experimental results indicate that applying DPL to RLHF for LLM chatbots identifies hidden context in the data and significantly reduces subsequent jailbreak vulnerability. Our code and data are available at https://github.com/cassidylaidlaw/hidden-context

Virtually all cells use energy and ion-specific membrane pumps to maintain large transmembrane gradients of Na$^+$, K$^+$, Cl$^-$, Mg$^{++}$, and Ca$^{++}$. Although they consume up to 1/3 of a cell's energy budget, the corresponding evolutionary benefit of transmembrane ion gradients remain unclear. Here, we propose that ion gradients enable a dynamic and versatile biological system that acquires, analyzes, and responds to environmental information. We hypothesize environmental signals are transmitted into the cell by ion fluxes along pre-existing gradients through gated ion-specific membrane channels. The consequent changes of cytoplasmic ion concentration can generate a local response and orchestrate global or regional responses through wire-like ion fluxes along pre-existing and self-assembling cytoskeleton to engage the endoplasmic reticulum, mitochondria, and nucleus. Here, we frame our hypothesis through a quasi-physical (Cell-Reservoir) model that treats intra-cellular ion-based information dynamics as a sub-cellular process permitting spatiotemporally resolved cellular response that is also capable of learning complex nonlinear dynamical cellular behavior. We demonstrate the proposed ion dynamics permits rapid dissemination of response to information extrinsic perturbations that is consistent with experimental observations.

This article intends to systematically identify and comparatively analyze state-of-the-art supply chain (SC) forecasting strategies and technologies. A novel framework has been proposed incorporating Big Data Analytics in SC Management (problem identification, data sources, exploratory data analysis, machine-learning model training, hyperparameter tuning, performance evaluation, and optimization), forecasting effects on human-workforce, inventory, and overall SC. Initially, the need to collect data according to SC strategy and how to collect them has been discussed. The article discusses the need for different types of forecasting according to the period or SC objective. The SC KPIs and the error-measurement systems have been recommended to optimize the top-performing model. The adverse effects of phantom inventory on forecasting and the dependence of managerial decisions on the SC KPIs for determining model performance parameters and improving operations management, transparency, and planning efficiency have been illustrated. The cyclic connection within the framework introduces preprocessing optimization based on the post-process KPIs, optimizing the overall control process (inventory management, workforce determination, cost, production and capacity planning). The contribution of this research lies in the standard SC process framework proposal, recommended forecasting data analysis, forecasting effects on SC performance, machine learning algorithms optimization followed, and in shedding light on future research.

Incremental Learning (IL) has been a long-standing problem in both vision and Natural Language Processing (NLP) communities. In recent years, as Pre-trained Language Models (PLMs) have achieved remarkable progress in various NLP downstream tasks, utilizing PLMs as backbones has become a common practice in recent research of IL in NLP. Most assume that catastrophic forgetting is the biggest obstacle to achieving superior IL performance and propose various techniques to overcome this issue. However, we find that this assumption is problematic. Specifically, we revisit more than 20 methods on four classification tasks (Text Classification, Intent Classification, Relation Extraction, and Named Entity Recognition) under the two most popular IL settings (Class-Incremental and Task-Incremental) and reveal that most of them severely underestimate the inherent anti-forgetting ability of PLMs. Based on the observation, we propose a frustratingly easy method called SEQ* for IL with PLMs. The results show that SEQ* has competitive or superior performance compared to state-of-the-art (SOTA) IL methods and requires considerably less trainable parameters and training time. These findings urge us to revisit the IL with PLMs and encourage future studies to have a fundamental understanding of the catastrophic forgetting in PLMs. The data, code and scripts are publicly available at https://github.com/zzz47zzz/pretrained-lm-for-incremental-learning.

Model explanations are very valuable for interpreting and debugging prediction models. We study a specific kind of global explanations called Concept Explanations, where the goal is to interpret a model using human-understandable concepts. Recent advances in multi-modal learning rekindled interest in concept explanations and led to several label-efficient proposals for estimation. However, existing estimation methods are unstable to the choice of concepts or dataset that is used for computing explanations. We observe that instability in explanations is due to high variance in point estimation of importance scores. We propose an uncertainty aware Bayesian estimation method, which readily improved reliability of the concept explanations. We demonstrate with theoretical analysis and empirical evaluation that explanations computed by our method are more reliable while also being label-efficient and faithful.

The increasing interest in data sharing makes synthetic data appealing. However, the analysis of synthetic data raises a unique set of methodological challenges. In this work, we highlight the importance of inferential utility and provide empirical evidence against naive inference from synthetic data (that handles these as if they were really observed). We argue that the rate of false-positive findings (type 1 error) will be unacceptably high, even when the estimates are unbiased. One of the reasons is the underestimation of the true standard error, which may even progressively increase with larger sample sizes due to slower convergence. This is especially problematic for deep generative models. Before publishing synthetic data, it is essential to develop statistical inference tools for such data.

In settings requiring synthetic data generation based on a clinical cohort, e.g., due to data protection regulations, heterogeneity across individuals might be a nuisance that we need to control or faithfully preserve. The sources of such heterogeneity might be known, e.g., as indicated by sub-groups labels, or might be unknown and thus reflected only in properties of distributions, such as bimodality or skewness. We investigate how such heterogeneity can be preserved and controlled when obtaining synthetic data from variational autoencoders (VAEs), i.e., a generative deep learning technique that utilizes a low-dimensional latent representation. To faithfully reproduce unknown heterogeneity reflected in marginal distributions, we propose to combine VAEs with pre-transformations. For dealing with known heterogeneity due to sub-groups, we complement VAEs with models for group membership, specifically from propensity score regression. The evaluation is performed with a realistic simulation design that features sub-groups and challenging marginal distributions. The proposed approach faithfully recovers the latter, compared to synthetic data approaches that focus purely on marginal distributions. Propensity scores add complementary information, e.g., when visualized in the latent space, and enable sampling of synthetic data with or without sub-group specific characteristics. We also illustrate the proposed approach with real data from an international stroke trial that exhibits considerable distribution differences between study sites, in addition to bimodality. These results indicate that describing heterogeneity by statistical approaches, such as propensity score regression, might be more generally useful for complementing generative deep learning for obtaining synthetic data that faithfully reflects structure from clinical cohorts.

Knowing if a model will generalize to data 'in the wild' is crucial for safe deployment. To this end, we study model disagreement notions that consider the full predictive distribution - specifically disagreement based on Hellinger distance, Jensen-Shannon and Kullback-Leibler divergence. We find that divergence-based scores provide better test error estimates and detection rates on out-of-distribution data compared to their top-1 counterparts. Experiments involve standard vision and foundation models.

The Bin Packing Problem (BPP) is a well-established combinatorial optimization (CO) problem. Since it has many applications in our daily life, e.g. logistics and resource allocation, people are seeking efficient bin packing algorithms. On the other hand, researchers have been making constant advances in machine learning (ML), which is famous for its efficiency. In this article, we first formulate BPP, introducing its variants and practical constraints. Then, a comprehensive survey on ML for multi-dimensional BPP is provided. We further collect some public benchmarks of 3D BPP, and evaluate some online methods on the Cutting Stock Dataset. Finally, we share our perspective on challenges and future directions in BPP. To the best of our knowledge, this is the first systematic review of ML-related methods for BPP.

Existing work has revealed that large-scale offline evaluation of recommender systems for user-item interactions is prone to bias caused by the deployed system itself, as a form of closed loop feedback. Many adopt the \textit{propensity} concept to analyze or mitigate this empirical issue. In this work, we extend the analysis to session-based setup and adapted propensity calculation to the unique characteristics of session-based recommendation tasks. Our experiments incorporate neural models and KNN-based models, and cover both the music and the e-commerce domain. We study the distributions of propensity and different stratification techniques on different datasets and find that propensity-related traits are actually dataset-specific. We then leverage the effect of stratification and achieve promising results compared to the original models.

Symmetric positive definite~(SPD) matrices have shown important value and applications in statistics and machine learning, such as FMRI analysis and traffic prediction. Previous works on SPD matrices mostly focus on discriminative models, where predictions are made directly on $E(X|y)$, where $y$ is a vector and $X$ is an SPD matrix. However, these methods are challenging to handle for large-scale data, as they need to access and process the whole data. In this paper, inspired by denoising diffusion probabilistic model~(DDPM), we propose a novel generative model, termed SPD-DDPM, by introducing Gaussian distribution in the SPD space to estimate $E(X|y)$. Moreover, our model is able to estimate $p(X)$ unconditionally and flexibly without giving $y$. On the one hand, the model conditionally learns $p(X|y)$ and utilizes the mean of samples to obtain $E(X|y)$ as a prediction. On the other hand, the model unconditionally learns the probability distribution of the data $p(X)$ and generates samples that conform to this distribution. Furthermore, we propose a new SPD net which is much deeper than the previous networks and allows for the inclusion of conditional factors. Experiment results on toy data and real taxi data demonstrate that our models effectively fit the data distribution both unconditionally and unconditionally and provide accurate predictions.

Pneumonia is a life-threatening lung infection resulting from several different viral infections. Identifying and treating pneumonia on chest X-ray images can be difficult due to its similarity to other pulmonary diseases. Thus, the existing methods for predicting pneumonia cannot attain substantial levels of accuracy. Therefore, this paper presents a computer-aided classification of pneumonia, coined as Ensemble Learning (EL), to simplify the diagnosis process on chest X-ray images. Our proposal is based on Convolutional Neural Network (CNN) models, which are pre-trained CNN models that have been recently employed to enhance the performance of many medical tasks instead of training CNN models from scratch. We propose to use three well-known CNN pre-trained (DenseNet169, MobileNetV2 and Vision Transformer) using the ImageNet database. Then, these models are trained on the chest X-ray data set using fine-tuning. Finally, the results are obtained by combining the extracted features from these three models during the experimental phase. The proposed EL approach outperforms other existing state-of-the-art methods, and it obtains an accuracy of 93.91% and a F1-Score of 93.88% on the testing phase.

The proliferation of large AI models trained on uncurated, often sensitive web-scraped data has raised significant privacy concerns. One of the concerns is that adversaries can extract information about the training data using privacy attacks. Unfortunately, the task of removing specific information from the models without sacrificing performance is not straightforward and has proven to be challenging. We propose a rather easy yet effective defense based on backdoor attacks to remove private information such as names of individuals from models, and focus in this work on text encoders. Specifically, through strategic insertion of backdoors, we align the embeddings of sensitive phrases with those of neutral terms-"a person" instead of the person's name. Our empirical results demonstrate the effectiveness of our backdoor-based defense on CLIP by assessing its performance using a specialized privacy attack for zero-shot classifiers. Our approach provides not only a new "dual-use" perspective on backdoor attacks, but also presents a promising avenue to enhance the privacy of individuals within models trained on uncurated web-scraped data.

This study presents a comparative analysis between single-objective and multi-objective reinforcement learning methods for training a robot to navigate effectively to an end goal while efficiently avoiding obstacles. Traditional reinforcement learning techniques, namely Deep Q-Network (DQN), Deep Deterministic Policy Gradient (DDPG), and Twin Delayed DDPG (TD3), have been evaluated using the Gazebo simulation framework in a variety of environments with parameters such as random goal and robot starting locations. These methods provide a numerical reward to the robot, offering an indication of action quality in relation to the goal. However, their limitations become apparent in complex settings where multiple, potentially conflicting, objectives are present. To address these limitations, we propose an approach employing Multi-Objective Reinforcement Learning (MORL). By modifying the reward function to return a vector of rewards, each pertaining to a distinct objective, the robot learns a policy that effectively balances the different goals, aiming to achieve a Pareto optimal solution. This comparative study highlights the potential for MORL in complex, dynamic robotic navigation tasks, setting the stage for future investigations into more adaptable and robust robotic behaviors.

Researchers have recently found that Self-Supervised Learning (SSL) is vulnerable to backdoor attacks. The attacker can embed hidden SSL backdoors via a few poisoned examples in the training dataset and maliciously manipulate the behavior of downstream models. To defend against SSL backdoor attacks, a feasible route is to detect and remove the poisonous samples in the training set. However, the existing SSL backdoor defense method fails to detect the poisonous samples precisely. In this paper, we propose to erase the SSL backdoor by cluster activation masking and propose a novel PoisonCAM method. After obtaining the threat model trained on the poisoned dataset, our method can precisely detect poisonous samples based on the assumption that masking the backdoor trigger can effectively change the activation of a downstream clustering model. In experiments, our PoisonCAM achieves 96% accuracy for backdoor trigger detection compared to 3% of the state-of-the-art method on poisoned ImageNet-100. Moreover, our proposed PoisonCAM significantly improves the performance of the trained SSL model under backdoor attacks compared to the state-of-the-art method. Our code will be available at https://github.com/LivXue/PoisonCAM.

Recently, representation learning over graph networks has gained popularity, with various models showing promising results. Despite this, several challenges persist: 1) most methods are designed for static or discrete-time dynamic graphs; 2) existing continuous-time dynamic graph algorithms focus on a single evolving perspective; and 3) many continuous-time dynamic graph approaches necessitate numerous temporal neighbors to capture long-term dependencies. In response, this paper introduces the Multi-Perspective Feedback-Attention Coupling (MPFA) model. MPFA incorporates information from both evolving and raw perspectives, efficiently learning the interleaved dynamics of observed processes. The evolving perspective employs temporal self-attention to distinguish continuously evolving temporal neighbors for information aggregation. Through dynamic updates, this perspective can capture long-term dependencies using a small number of temporal neighbors. Meanwhile, the raw perspective utilizes a feedback attention module with growth characteristic coefficients to aggregate raw neighborhood information. Experimental results on a self-organizing dataset and seven public datasets validate the efficacy and competitiveness of our proposed model.

Codebook collapse is a common problem in training deep generative models with discrete representation spaces like Vector Quantized Variational Autoencoders (VQ-VAEs). We observe that the same problem arises for the alternatively designed discrete variational autoencoders (dVAEs) whose encoder directly learns a distribution over the codebook embeddings to represent the data. We hypothesize that using the softmax function to obtain a probability distribution causes the codebook collapse by assigning overconfident probabilities to the best matching codebook elements. In this paper, we propose a novel way to incorporate evidential deep learning (EDL) instead of softmax to combat the codebook collapse problem of dVAE. We evidentially monitor the significance of attaining the probability distribution over the codebook embeddings, in contrast to softmax usage. Our experiments using various datasets show that our model, called EdVAE, mitigates codebook collapse while improving the reconstruction performance, and enhances the codebook usage compared to dVAE and VQ-VAE based models. Our code can be found at https://github.com/ituvisionlab/EdVAE .

This work proposes the Two-headed DragoNet, a Transformer-based model for hierarchical multi-label classification of financial transactions. Our model is based on a stack of Transformers encoder layers that generate contextual embeddings from two short textual descriptors (merchant name and business activity), followed by a Context Fusion layer and two output heads that classify transactions according to a hierarchical two-level taxonomy (macro and micro categories). Finally, our proposed Taxonomy-aware Attention Layer corrects predictions that break categorical hierarchy rules defined in the given taxonomy. Our proposal outperforms classical machine learning methods in experiments of macro-category classification by achieving an F1-score of 93\% on a card dataset and 95% on a current account dataset.

We propose a novel data-driven approach to allocate transmit power for federated learning (FL) over interference-limited wireless networks. The proposed method is useful in challenging scenarios where the wireless channel is changing during the FL training process and when the training data are not independent and identically distributed (non-i.i.d.) on the local devices. Intuitively, the power policy is designed to optimize the information received at the server end during the FL process under communication constraints. Ultimately, our goal is to improve the accuracy and efficiency of the global FL model being trained. The proposed power allocation policy is parameterized using graph convolutional networks (GCNs), and the associated constrained optimization problem is solved through a primal-dual (PD) algorithm. Theoretically, we show that the formulated problem has a zero duality gap and, once the power policy is parameterized, optimality depends on how expressive this parameterization is. Numerically, we demonstrate that the proposed method outperforms existing baselines under different wireless channel settings and varying degrees of data heterogeneity.

The ability to predict the behavior of a wireless channel in terms of the frame delivery ratio is quite valuable, and permits, e.g., to optimize the operating parameters of a wireless network at runtime, or to proactively react to the degradation of the channel quality, in order to meet the stringent requirements about dependability and end-to-end latency that typically characterize industrial applications. In this work, prediction models based on the exponential moving average (EMA) are investigated in depth, which are proven to outperform other simple statistical methods and whose performance is nearly as good as artificial neural networks, but with dramatically lower computational requirements. Regarding the innovation and motivation of this work, a new model that we called EMA linear combination (ELC), is introduced, explained, and evaluated experimentally. Its prediction accuracy, tested on some databases acquired from a real setup based on Wi-Fi devices, showed that ELC brings tangible improvements over EMA in any experimental conditions, the only drawback being a slight increase in computational complexity.

Massive transformer-based models face several challenges, including slow and computationally intensive pre-training and over-parametrization. This paper addresses these challenges by proposing a versatile method called GQKVA, which generalizes query, key, and value grouping techniques. GQKVA is designed to speed up transformer pre-training while reducing the model size. Our experiments with various GQKVA variants highlight a clear trade-off between performance and model size, allowing for customized choices based on resource and time limitations. Our findings also indicate that the conventional multi-head attention approach is not always the best choice, as there are lighter and faster alternatives available. We tested our method on ViT, which achieved an approximate 0.3% increase in accuracy while reducing the model size by about 4% in the task of image classification. Additionally, our most aggressive model reduction experiment resulted in a reduction of approximately 15% in model size, with only around a 1% drop in accuracy.

Psychiatry research seeks to understand the manifestations of psychopathology in behavior, as measured in questionnaire data, by identifying a small number of latent factors that explain them. While factor analysis is the traditional tool for this purpose, the resulting factors may not be interpretable, and may also be subject to confounding variables. Moreover, missing data are common, and explicit imputation is often required. To overcome these limitations, we introduce interpretability constrained questionnaire factorization (ICQF), a non-negative matrix factorization method with regularization tailored for questionnaire data. Our method aims to promote factor interpretability and solution stability. We provide an optimization procedure with theoretical convergence guarantees, and an automated procedure to detect latent dimensionality accurately. We validate these procedures using realistic synthetic data. We demonstrate the effectiveness of our method in a widely used general-purpose questionnaire, in two independent datasets (the Healthy Brain Network and Adolescent Brain Cognitive Development studies). Specifically, we show that ICQF improves interpretability, as defined by domain experts, while preserving diagnostic information across a range of disorders, and outperforms competing methods for smaller dataset sizes. This suggests that the regularization in our method matches domain characteristics. The python implementation for ICQF is available at \url{https://github.com/jefferykclam/ICQF}.

This paper lays down the research agenda for a domain-specific foundation model for operating systems (OSes). Our case for a foundation model revolves around the observations that several OS components such as CPU, memory, and network subsystems are interrelated and that OS traces offer the ideal dataset for a foundation model to grasp the intricacies of diverse OS components and their behavior in varying environments and workloads. We discuss a wide range of possibilities that then arise, from employing foundation models as policy agents to utilizing them as generators and predictors to assist traditional OS control algorithms. Our hope is that this paper spurs further research into OS foundation models and creating the next generation of operating systems for the evolving computing landscape.

Radio signal classification plays a pivotal role in identifying the modulation scheme used in received radio signals, which is essential for demodulation and proper interpretation of the transmitted information. Researchers have underscored the high susceptibility of ML algorithms for radio signal classification to adversarial attacks. Such vulnerability could result in severe consequences, including misinterpretation of critical messages, interception of classified information, or disruption of communication channels. Recent advancements in quantum computing have revolutionized theories and implementations of computation, bringing the unprecedented development of Quantum Machine Learning (QML). It is shown that quantum variational classifiers (QVCs) provide notably enhanced robustness against classical adversarial attacks in image classification. However, no research has yet explored whether QML can similarly mitigate adversarial threats in the context of radio signal classification. This work applies QVCs to radio signal classification and studies their robustness to various adversarial attacks. We also propose the novel application of the approximate amplitude encoding (AAE) technique to encode radio signal data efficiently. Our extensive simulation results present that attacks generated on QVCs transfer well to CNN models, indicating that these adversarial examples can fool neural networks that they are not explicitly designed to attack. However, the converse is not true. QVCs primarily resist the attacks generated on CNNs. Overall, with comprehensive simulations, our results shed new light on the growing field of QML by bridging knowledge gaps in QAML in radio signal classification and uncovering the advantages of applying QML methods in practical applications.

Abuse in its various forms, including physical, psychological, verbal, sexual, financial, and cultural, has a negative impact on mental health. However, there are limited studies on applying natural language processing (NLP) in this field in Vietnam. Therefore, we aim to contribute by building a human-annotated Vietnamese dataset for detecting abusive content in Vietnamese narrative texts. We sourced these texts from VnExpress, Vietnam's popular online newspaper, where readers often share stories containing abusive content. Identifying and categorizing abusive spans in these texts posed significant challenges during dataset creation, but it also motivated our research. We experimented with lightweight baseline models by freezing PhoBERT and XLM-RoBERTa and using their hidden states in a BiLSTM to assess the complexity of the dataset. According to our experimental results, PhoBERT outperforms other models in both labeled and unlabeled abusive span detection tasks. These results indicate that it has the potential for future improvements.

The release of large datasets and developments in AI have led to dramatic improvements in decoding methods that reconstruct seen images from human brain activity. We evaluate the prospect of further improving recent decoding methods by optimizing for consistency between reconstructions and brain activity during inference. We sample seed reconstructions from a base decoding method, then iteratively refine these reconstructions using a brain-optimized encoding model that maps images to brain activity. At each iteration, we sample a small library of images from an image distribution (a diffusion model) conditioned on a seed reconstruction from the previous iteration. We select those that best approximate the measured brain activity when passed through our encoding model, and use these images for structural guidance during the generation of the small library in the next iteration. We reduce the stochasticity of the image distribution at each iteration, and stop when a criterion on the "width" of the image distribution is met. We show that when this process is applied to recent decoding methods, it outperforms the base decoding method as measured by human raters, a variety of image feature metrics, and alignment to brain activity. These results demonstrate that reconstruction quality can be significantly improved by explicitly aligning decoding distributions to brain activity distributions, even when the seed reconstruction is output from a state-of-the-art decoding algorithm. Interestingly, the rate of refinement varies systematically across visual cortex, with earlier visual areas generally converging more slowly and preferring narrower image distributions, relative to higher-level brain areas. Brain-optimized inference thus offers a succinct and novel method for improving reconstructions and exploring the diversity of representations across visual brain areas.

Embeddings are a basic initial feature extraction step in many machine learning models, particularly in natural language processing. An embedding attempts to map data tokens to a low-dimensional space where similar tokens are mapped to vectors that are close to one another by some metric in the embedding space. A basic question is how well can such embedding be learned? To study this problem, we consider a simple probability model for discrete data where there is some "true" but unknown embedding where the correlation of random variables is related to the similarity of the embeddings. Under this model, it is shown that the embeddings can be learned by a variant of low-rank approximate message passing (AMP) method. The AMP approach enables precise predictions of the accuracy of the estimation in certain high-dimensional limits. In particular, the methodology provides insight on the relations of key parameters such as the number of samples per value, the frequency of the terms, and the strength of the embedding correlation on the probability distribution. Our theoretical findings are validated by simulations on both synthetic data and real text data.

Intelligence is a fundamental part of all living things, as well as the foundation for Artificial Intelligence. In this primer we explore the ideas associated with intelligence and, by doing so, understand the implications and constraints and potentially outline the capabilities of future systems. Artificial Intelligence, in the form of Machine Learning, has already had a significant impact on our lives. As an exploration, we journey into different parts of intelligence that appear essential. We hope that people find this helpful in determining the future. Also, during the exploration, we hope to create new thought-provoking questions. Intelligence is not a single weighable quantity but a subject that spans Biology, Physics, Philosophy, Cognitive Science, Neuroscience, Psychology, and Computer Science. The historian Yuval Noah Harari pointed out that engineers and scientists in the future will have to broaden their understandings to include disciplines such as Psychology, Philosophy, and Ethics. Fiction writers have long portrayed engineers and scientists as deficient in these areas. Today, in modern society, the emergence of Artificial Intelligence and legal requirements act as forcing functions to push these broader subjects into the foreground. We start with an introduction to intelligence and move quickly to more profound thoughts and ideas. We call this a Life, the Universe, and Everything primer, after the famous science fiction book by Douglas Adams. Forty-two may be the correct answer, but what are the questions?

Multi-task learning (MTL) has shown considerable practical benefits, particularly when using pre-trained language models (PLMs). While this is commonly achieved by simultaneously learning $n$ tasks under a joint optimization procedure, recent methods such as AdapterFusion structure the problem into two distinct stages: (i) task learning, where knowledge specific to a task is encapsulated within sets of parameters (e.g., adapters), and (ii) transfer, where this already learned knowledge is leveraged for a target task. This separation of concerns provides numerous benefits, such as promoting reusability, and addressing cases involving data privacy and societal concerns; on the flip side, current two-stage MTL methods come with the cost of introducing a substantial number of additional parameters. In this work, we address this issue by leveraging the usefulness of linearly scaling the output representations of source adapters for transfer learning. We introduce ScaLearn, a simple and highly parameter-efficient two-stage MTL method that capitalizes on the knowledge of the source tasks by learning a minimal set of scaling parameters that enable effective knowledge transfer to a target task. Our experiments on three benchmarks (GLUE, SuperGLUE, and HumSet) show that our ScaLearn, in addition to facilitating the benefits of two-stage MTL, consistently outperforms strong baselines with only a small number of transfer parameters - roughly 0.35% of those of AdapterFusion. Remarkably, we observe that ScaLearn maintains its strong abilities even when further reducing parameters through uniform scaling and layer-sharing, achieving similarly competitive results with only $8$ transfer parameters for each target task. Our proposed approach thus demonstrates the power of simple scaling as a promise for more efficient task transfer.

The open streets initiative "opens" streets to pedestrians and bicyclists by closing them to cars and trucks. The initiative, adopted by many cities across North America, increases community space in urban environments. But could open streets also make cities safer and less congested? We study this question by framing the choice of which streets to open as a reinforcement learning problem. In order to simulate the impact of opening streets, we first compare models for predicting vehicle collisions given network and temporal data. We find that a recurrent graph neural network, leveraging the graph structure and the short-term temporal dependence of the data, gives the best predictive performance. Then, with the ability to simulate collisions and traffic, we frame a reinforcement learning problem to find which streets to open. We compare the streets in the NYC Open Streets program to those proposed by a Q-learning algorithm. We find that the streets proposed by the Q-learning algorithm have reliably better outcomes, while streets in the program have similar outcomes to randomly selected streets. We present our work as a step toward principally choosing which streets to open for safer and less congested cities. All our code and data are available on Github.

In this paper we introduce GP+, an open-source library for kernel-based learning via Gaussian processes (GPs) which are powerful statistical models that are completely characterized by their parametric covariance and mean functions. GP+ is built on PyTorch and provides a user-friendly and object-oriented tool for probabilistic learning and inference. As we demonstrate with a host of examples, GP+ has a few unique advantages over other GP modeling libraries. We achieve these advantages primarily by integrating nonlinear manifold learning techniques with GPs' covariance and mean functions. As part of introducing GP+, in this paper we also make methodological contributions that (1) enable probabilistic data fusion and inverse parameter estimation, and (2) equip GPs with parsimonious parametric mean functions which span mixed feature spaces that have both categorical and quantitative variables. We demonstrate the impact of these contributions in the context of Bayesian optimization, multi-fidelity modeling, sensitivity analysis, and calibration of computer models.

In this paper, we consider an infinite horizon average reward Markov Decision Process (MDP). Distinguishing itself from existing works within this context, our approach harnesses the power of the general policy gradient-based algorithm, liberating it from the constraints of assuming a linear MDP structure. We propose a policy gradient-based algorithm and show its global convergence property. We then prove that the proposed algorithm has $\tilde{\mathcal{O}}({T}^{3/4})$ regret. Remarkably, this paper marks a pioneering effort by presenting the first exploration into regret-bound computation for the general parameterized policy gradient algorithm in the context of average reward scenarios.

The application of 2D markerless gait analysis has garnered increasing interest and application within clinical settings. However, its effectiveness in the realm of lower-limb amputees has remained less than optimal. In response, this study introduces an innovative zero-shot method employing image generation diffusion models to achieve markerless pose estimation for lower-limb prosthetics, presenting a promising solution to gait analysis for this specific population. Our approach demonstrates an enhancement in detecting key points on prosthetic limbs over existing methods, and enables clinicians to gain invaluable insights into the kinematics of lower-limb amputees across the gait cycle. The outcomes obtained not only serve as a proof-of-concept for the feasibility of this zero-shot approach but also underscore its potential in advancing rehabilitation through gait analysis for this unique population.

Instruction tuning large language models (LLMs) using machine-generated instruction-following data has improved zero-shot capabilities on new tasks, but the idea is less explored in the multimodal field. In this paper, we present the first attempt to use language-only GPT-4 to generate multimodal language-image instruction-following data. By instruction tuning on such generated data, we introduce LLaVA: Large Language and Vision Assistant, an end-to-end trained large multimodal model that connects a vision encoder and LLM for general-purpose visual and language understanding.Our early experiments show that LLaVA demonstrates impressive multimodel chat abilities, sometimes exhibiting the behaviors of multimodal GPT-4 on unseen images/instructions, and yields a 85.1% relative score compared with GPT-4 on a synthetic multimodal instruction-following dataset. When fine-tuned on Science QA, the synergy of LLaVA and GPT-4 achieves a new state-of-the-art accuracy of 92.53%. We make GPT-4 generated visual instruction tuning data, our model and code base publicly available.

Bayesian Experimental Design (BED), which aims to find the optimal experimental conditions for Bayesian inference, is usually posed as to optimize the expected information gain (EIG). The gradient information is often needed for efficient EIG optimization, and as a result the ability to estimate the gradient of EIG is essential for BED problems. The primary goal of this work is to develop methods for estimating the gradient of EIG, which, combined with the stochastic gradient descent algorithms, result in efficient optimization of EIG. Specifically, we first introduce a posterior expected representation of the EIG gradient with respect to the design variables. Based on this, we propose two methods for estimating the EIG gradient, UEEG-MCMC that leverages posterior samples generated through Markov Chain Monte Carlo (MCMC) to estimate the EIG gradient, and BEEG-AP that focuses on achieving high simulation efficiency by repeatedly using parameter samples. Theoretical analysis and numerical studies illustrate that UEEG-MCMC is robust agains the actual EIG value, while BEEG-AP is more efficient when the EIG value to be optimized is small. Moreover, both methods show superior performance compared to several popular benchmarks in our numerical experiments.

This paper presents the "Uncertainty-aware Mixture of Experts" (uMoE), a novel approach designed to address aleatoric uncertainty in the training of predictive models based on Neural Networks (NNs). While existing methods primarily focus on managing uncertainty during infer-ence, uMoE integrates uncertainty directly into the train-ing process. The uMoE approach adopts a "Divide and Conquer" paradigm to partition the uncertain input space into more manageable subspaces. It consists of Expert components, each trained solely on the portion of input uncertainty corresponding to their subspace. On top of the Experts, a Gating Unit, guided by additional infor-mation about the distribution of uncertain inputs across these subspaces, learns to weight the Experts to minimize deviations from the ground truth. Our results highlight that uMoE significantly outperforms baseline methods in handling data uncertainty. Furthermore, we conducted a robustness analysis, illustrating its capability to adapt to varying levels of uncertainty and suggesting optimal threshold parameters. This innovative approach holds wide applicability across diverse data-driven domains, in-cluding biomedical signal processing, autonomous driv-ing, and production quality control.

We consider the memorization capabilities of multilayered \emph{sign} perceptrons neural networks (SPNNs). A recent rigorous upper-bounding capacity characterization, obtained in \cite{Stojnictcmspnncaprdt23} utilizing the Random Duality Theory (RDT), demonstrated that adding neurons in a network configuration may indeed be very beneficial. Moreover, for particular \emph{treelike committee machines} (TCM) architectures with $d\leq 5$ neurons in the hidden layer, \cite{Stojnictcmspnncaprdt23} made a very first mathematically rigorous progress in over 30 years by lowering the previously best known capacity bounds of \cite{MitchDurb89}. Here, we first establish that the RDT bounds from \cite{Stojnictcmspnncaprdt23} scale as $\sim \sqrt{d}$ and can not on their own \emph{universally} (over the entire range of $d$) beat the best known $\sim \log(d)$ scaling of the bounds from \cite{MitchDurb89}. After recognizing that the progress from \cite{Stojnictcmspnncaprdt23} is therefore promising, but yet without a complete concretization, we then proceed by considering the recently developed fully lifted RDT (fl RDT) as an alternative. While the fl RDT is indeed a powerful juggernaut, it typically relies on heavy numerical evaluations. To avoid such heavy numerics, we here focus on a simplified, \emph{partially lifted}, variant and show that it allows for very neat, closed form, analytical capacity characterizations. Moreover, we obtain the concrete capacity bounds that \emph{universally} improve for \emph{any} $d$ over the best known ones of \cite{MitchDurb89}.

Data quality is a key element for building and optimizing good learning models. Despite many attempts to characterize data quality, there is still a need for rigorous formalization and an efficient measure of the quality from available observations. Indeed, without a clear understanding of the training and testing processes, it is hard to evaluate the intrinsic performance of a model. Besides, tools allowing to measure data quality specific to machine learning are still lacking. In this paper, we introduce and explain a novel metric to measure data quality. This metric is based on the correlated evolution between the classification performance and the deterioration of data. The proposed method has the major advantage of being model-independent. Furthermore, we provide an interpretation of each criterion and examples of assessment levels. We confirm the utility of the proposed metric with intensive numerical experiments and detail some illustrative cases with controlled and interpretable qualities.

Variational autoencoder (VAE) and generative adversarial networks (GAN) have found widespread applications in clustering and have achieved significant success. However, the potential of these approaches may be limited due to VAE's mediocre generation capability or GAN's well-known instability during adversarial training. In contrast, denoising diffusion probabilistic models (DDPMs) represent a new and promising class of generative models that may unlock fresh dimensions in clustering. In this study, we introduce an innovative expectation-maximization (EM) framework for clustering using DDPMs. In the E-step, we aim to derive a mixture of Gaussian priors for the subsequent M-step. In the M-step, our focus lies in learning clustering-friendly latent representations for the data by employing the conditional DDPM and matching the distribution of latent representations to the mixture of Gaussian priors. We present a rigorous theoretical analysis of the optimization process in the M-step, proving that the optimizations are equivalent to maximizing the lower bound of the Q function within the vanilla EM framework under certain constraints. Comprehensive experiments validate the advantages of the proposed framework, showcasing superior performance in clustering, unsupervised conditional generation and latent representation learning.

The costly self-attention layers in modern Transformers require memory and compute quadratic in sequence length. Existing approximation methods usually underperform and fail to obtain significant speedups in practice. Here we present SwitchHead - a novel method that reduces both compute and memory requirements and achieves wall-clock speedup, while matching the language modeling performance of baseline Transformers with the same parameter budget. SwitchHead uses Mixture-of-Experts (MoE) layers for the value and output projections and requires 4 to 8 times fewer attention matrices than standard Transformers. Our novel attention can also be combined with MoE MLP layers, resulting in an efficient fully-MoE "SwitchHead" Transformer model. Our code is public.

In this paper, we present a novel robust framework for low-level vision tasks, including denoising, object removal, frame interpolation, and super-resolution, that does not require any external training data corpus. Our proposed approach directly learns the weights of neural modules by optimizing over the corrupted test sequence, leveraging the spatio-temporal coherence and internal statistics of videos. Furthermore, we introduce a novel spatial pyramid loss that leverages the property of spatio-temporal patch recurrence in a video across the different scales of the video. This loss enhances robustness to unstructured noise in both the spatial and temporal domains. This further results in our framework being highly robust to degradation in input frames and yields state-of-the-art results on downstream tasks such as denoising, object removal, and frame interpolation. To validate the effectiveness of our approach, we conduct qualitative and quantitative evaluations on standard video datasets such as DAVIS, UCF-101, and VIMEO90K-T.

In scenarios where obtaining real-time labels proves challenging, conventional approaches may result in sub-optimal performance. This paper presents an optimal strategy for streaming contexts with limited labeled data, introducing an adaptive technique for unsupervised regression. The proposed method leverages a sparse set of initial labels and introduces an innovative drift detection mechanism to enable dynamic model adaptations in response to evolving patterns in the data. To enhance adaptability, we integrate the ADWIN (ADaptive WINdowing) algorithm with error generalization based on Root Mean Square Error (RMSE). ADWIN facilitates real-time drift detection, while RMSE provides a robust measure of model prediction accuracy. This combination enables our multivariate method to effectively navigate the challenges of streaming data, continuously adapting to changing patterns while maintaining a high level of predictive precision. Finally, we evaluate the performance of our multivariate method across various public datasets, comparing it to non-adapting baselines. Through comprehensive assessments, we demonstrate the superior efficacy of our adaptive regression technique for tasks where obtaining labels in real-time is a significant challenge. The results underscore the method's capacity to outperform traditional approaches and highlight its potential in scenarios characterized by label scarcity and evolving data patterns.

Explainable AI (XAI) has unfolded in two distinct research directions with, on the one hand, post-hoc methods that explain the predictions of a pre-trained black-box model and, on the other hand, self-explainable models (SEMs) which are trained directly to provide explanations alongside their predictions. While the latter is preferred in most safety-critical scenarios, post-hoc approaches have received the majority of attention until now, owing to their simplicity and ability to explain base models without retraining. Current SEMs instead, require complex architectures and heavily regularized loss functions, thus necessitating specific and costly training. To address this shortcoming and facilitate wider use of SEMs, we propose a simple yet efficient universal method called KMEx (K-Means Explainer), which can convert any existing pre-trained model into a prototypical SEM. The motivation behind KMEx is to push towards more transparent deep learning-based decision-making via class-prototype-based explanations that are guaranteed to be diverse and trustworthy without retraining the base model. We compare models obtained from KMEx to state-of-the-art SEMs using an extensive qualitative evaluation to highlight the strengths and weaknesses of each model, further paving the way toward a more reliable and objective evaluation of SEMs.

Word2Vec remains one of the highly-impactful innovations in the field of Natural Language Processing (NLP) that represents latent grammatical and syntactical information in human text with dense vectors in a low dimension. Word2Vec has high computational cost due to the algorithm's inherent sequentiality, intensive memory accesses, and the large vocabularies it represents. While prior studies have investigated technologies to explore parallelism and improve memory system performance, they struggle to effectively gain throughput on powerful GPUs. We identify memory data access and latency as the primary bottleneck in prior works on GPUs, which prevents highly optimized kernels from attaining the architecture's peak performance. We present a novel algorithm, FULL-W2V, which maximally exploits the opportunities for data reuse in the W2V algorithm and leverages GPU architecture and resources to reduce access to low memory levels and improve temporal locality. FULL-W2V is capable of reducing accesses to GPU global memory significantly, e.g., by more than 89\%, compared to prior state-of-the-art GPU implementations, resulting in significant performance improvement that scales across successive hardware generations. Our prototype implementation achieves 2.97X speedup when ported from Nvidia Pascal P100 to Volta V100 cards, and outperforms the state-of-the-art by 5.72X on V100 cards with the same embedding quality. In-depth analysis indicates that the reduction of memory accesses through register and shared memory caching and high-throughput shared memory reduction leads to a significantly improved arithmetic intensity. FULL-W2V can potentially benefit many applications in NLP and other domains.

Morphological profiling is a valuable tool in phenotypic drug discovery. The advent of high-throughput automated imaging has enabled the capturing of a wide range of morphological features of cells or organisms in response to perturbations at the single-cell resolution. Concurrently, significant advances in machine learning and deep learning, especially in computer vision, have led to substantial improvements in analyzing large-scale high-content images at high-throughput. These efforts have facilitated understanding of compound mechanism-of-action (MOA), drug repurposing, characterization of cell morphodynamics under perturbation, and ultimately contributing to the development of novel therapeutics. In this review, we provide a comprehensive overview of the recent advances in the field of morphological profiling. We summarize the image profiling analysis workflow, survey a broad spectrum of analysis strategies encompassing feature engineering- and deep learning-based approaches, and introduce publicly available benchmark datasets. We place a particular emphasis on the application of deep learning in this pipeline, covering cell segmentation, image representation learning, and multimodal learning. Additionally, we illuminate the application of morphological profiling in phenotypic drug discovery and highlight potential challenges and opportunities in this field.

The end-to-end predict-then-optimize framework, also known as decision-focused learning, has gained popularity for its ability to integrate optimization into the training procedure of machine learning models that predict the unknown cost (objective function) coefficients of optimization problems from contextual instance information. Naturally, most of the problems of interest in this space can be cast as integer linear programs. In this work, we focus on binary linear programs (BLPs) and propose a new end-to-end training method for predict-then-optimize. Our method, Cone-aligned Vector Estimation (CaVE), aligns the predicted cost vectors with the cone corresponding to the true optimal solution of a training instance. When the predicted cost vector lies inside the cone, the optimal solution to the linear relaxation of the binary problem is optimal w.r.t. to the true cost vector. Not only does this alignment produce decision-aware learning models, but it also dramatically reduces training time as it circumvents the need to solve BLPs to compute a loss function with its gradients. Experiments across multiple datasets show that our method exhibits a favorable trade-off between training time and solution quality, particularly with large-scale optimization problems such as vehicle routing, a hard BLP that has yet to benefit from predict-then-optimize methods in the literature due to its difficulty.

This dissertation will combine new tools and methodologies to answer pressing questions regarding inundation area and hurricane events in complex, heterogeneous changing environments. In addition to remote sensing approaches, citizen science and machine learning are both emerging fields that harness advancing technology to answer environmental management and disaster response questions.

Offline-to-online Reinforcement Learning (O2O RL) aims to improve the performance of offline pretrained policy using only a few online samples. Built on offline RL algorithms, most O2O methods focus on the balance between RL objective and pessimism, or the utilization of offline and online samples. In this paper, from a novel perspective, we systematically study the challenges that remain in O2O RL and identify that the reason behind the slow improvement of the performance and the instability of online finetuning lies in the inaccurate Q-value estimation inherited from offline pretraining. Specifically, we demonstrate that the estimation bias and the inaccurate rank of Q-value cause a misleading signal for the policy update, making the standard offline RL algorithms, such as CQL and TD3-BC, ineffective in the online finetuning. Based on this observation, we address the problem of Q-value estimation by two techniques: (1) perturbed value update and (2) increased frequency of Q-value updates. The first technique smooths out biased Q-value estimation with sharp peaks, preventing early-stage policy exploitation of sub-optimal actions. The second one alleviates the estimation bias inherited from offline pretraining by accelerating learning. Extensive experiments on the MuJoco and Adroit environments demonstrate that the proposed method, named SO2, significantly alleviates Q-value estimation issues, and consistently improves the performance against the state-of-the-art methods by up to 83.1%.  ( 2 min )

Social media has created a global network where people can easily access and exchange vast information. This information gives rise to a variety of opinions, reflecting both positive and negative viewpoints. GIFs stand out as a multimedia format offering a visually engaging way for users to communicate. In this research, we propose a multimodal framework that integrates visual and textual features to predict the GIF sentiment. It also incorporates attributes including face emotion detection and OCR generated captions to capture the semantic aspects of the GIF. The developed classifier achieves an accuracy of 82.7% on Twitter GIFs, which is an improvement over state-of-the-art models. Moreover, we have based our research on the ReactionGIF dataset, analysing the variance in sentiment perceived by the author and sentiment induced in the reader  ( 2 min )

Indoor localization is the process of determining the location of a person or object inside a building. Potential usage of indoor localization includes navigation, personalization, safety and security, and asset tracking. Commonly used technologies for indoor localization include WiFi, Bluetooth, RFID, and Ultra-wideband. Among these, WiFi's Received Signal Strength Indicator (RSSI)-based localization is preferred because of widely available WiFi Access Points (APs). We have two main contributions. First, we develop our method, 'IndoorGNN' which involves using a Graph Neural Network (GNN) based algorithm in a supervised manner to classify a specific location into a particular region based on the RSSI values collected at that location. Most of the ML algorithms that perform this classification require a large number of labeled data points (RSSI vectors with location information). Collecting such data points is a labor-intensive and time-consuming task. To overcome this challenge, as our second contribution, we demonstrate the performance of IndoorGNN on the restricted dataset. It shows a comparable prediction accuracy to that of the complete dataset. We performed experiments on the UJIIndoorLoc and MNAV datasets, which are real-world standard indoor localization datasets. Our experiments show that IndoorGNN gives better location prediction accuracies when compared with state-of-the-art existing conventional as well as GNN-based methods for this same task. It continues to outperform these algorithms even with restricted datasets. It is noteworthy that its performance does not decrease a lot with a decrease in the number of available data points. Our method can be utilized for navigation and wayfinding in complex indoor environments, asset tracking and building management, enhancing mobile applications with location-based services, and improving safety and security during emergencies.  ( 3 min )

Near-infrared spectroscopy (NIRS) can measure neural activity through blood oxygenation changes in the brain in a wearable form factor, enabling unique applications for research in and outside the lab. NIRS has proven capable of measuring cognitive states such as mental workload, often using machine learning (ML) based brain-computer interfaces (BCIs). To date, NIRS research has largely relied on probes with under ten to several hundred channels, although recently a new class of wearable NIRS devices with thousands of channels has emerged. This poses unique challenges for ML classification, as NIRS is typically limited by few training trials which results in severely under-determined estimation problems. So far, it is not well understood how such high-resolution data is best leveraged in practical BCIs and whether state-of-the-art (SotA) or better performance can be achieved. To address these questions, we propose an ML strategy to classify working-memory load that relies on spatio-temporal regularization and transfer learning from other subjects in a combination that has not been used in previous NIRS BCIs. The approach can be interpreted as an end-to-end generalized linear model and allows for a high degree of interpretability using channel-level or cortical imaging approaches. We show that using the proposed methodology, it is possible to achieve SotA decoding performance with high-resolution NIRS data. We also replicated several SotA approaches on our dataset of 43 participants wearing a 3198 dual-channel NIRS device while performing the n-Back task and show that these existing methods struggle in the high-channel regime and are largely outperformed by the proposed method. Our approach helps establish high-channel NIRS devices as a viable platform for SotA BCI and opens new applications using this class of headset while also enabling high-resolution model imaging and interpretation.  ( 3 min )

Intent-aware session recommendation (ISR) is pivotal in discerning user intents within sessions for precise predictions. Traditional approaches, however, face limitations due to their presumption of a uniform number of intents across all sessions. This assumption overlooks the dynamic nature of user sessions, where the number and type of intentions can significantly vary. In addition, these methods typically operate in latent spaces, thus hinder the model's transparency.Addressing these challenges, we introduce a novel ISR approach, utilizing the advanced reasoning capabilities of large language models (LLMs). First, this approach begins by generating an initial prompt that guides LLMs to predict the next item in a session, based on the varied intents manifested in user sessions. Then, to refine this process, we introduce an innovative prompt optimization mechanism that iteratively self-reflects and adjusts prompts. Furthermore, our prompt selection module, built upon the LLMs' broad adaptability, swiftly selects the most optimized prompts across diverse domains. This new paradigm empowers LLMs to discern diverse user intents at a semantic level, leading to more accurate and interpretable session recommendations. Our extensive experiments on three real-world datasets demonstrate the effectiveness of our method, marking a significant advancement in ISR systems.  ( 2 min )

This paper extends our previous method for COVID-19 diagnosis, proposing an enhanced solution for detecting COVID-19 from computed tomography (CT) images. To decrease model misclassifications, two key steps of image processing were employed. Firstly, the uppermost and lowermost slices were removed, preserving sixty percent of each patient's slices. Secondly, all slices underwent manual cropping to emphasize the lung areas. Subsequently, resized CT scans (224 by 224) were input into an Xception transfer learning model. Leveraging Xception's architecture and pre-trained weights, the modified model achieved binary classification. Promising results on the COV19-CT database showcased higher validation accuracy and macro F1 score at both the slice and patient levels compared to our previous solution and alternatives on the same dataset.  ( 2 min )

Multimodal machine learning, especially text-to-image models like Stable Diffusion and DALL-E 3, has gained significance for transforming text into detailed images. Despite their growing use and remarkable generative capabilities, there is a pressing need for a detailed examination of these models' behavior, particularly with respect to memorization. Historically, memorization in machine learning has been context-dependent, with diverse definitions emerging from classification tasks to complex models like Large Language Models (LLMs) and Diffusion models. Yet, a definitive concept of memorization that aligns with the intricacies of text-to-image synthesis remains elusive. This understanding is vital as memorization poses privacy risks yet is essential for meeting user expectations, especially when generating representations of underrepresented entities. In this paper, we introduce a specialized definition of memorization tailored to text-to-image models, categorizing it into three distinct types according to user expectations. We closely examine the subtle distinctions between intended and unintended memorization, emphasizing the importance of balancing user privacy with the generative quality of the model outputs. Using the Stable Diffusion model, we offer examples to validate our memorization definitions and clarify their application.  ( 2 min )

In this study, we present a novel computational method for generating molecular fingerprints using multiparameter persistent homology (MPPH). This technique holds considerable significance for drug discovery and materials science, where precise molecular property prediction is vital. By integrating SE(3)-invariance with Vietoris-Rips persistent homology, we effectively capture the three-dimensional representations of molecular chirality. This non-superimposable mirror image property directly influences the molecular interactions, serving as an essential factor in molecular property prediction. We explore the underlying topologies and patterns in molecular structures by applying Vietoris-Rips persistent homology across varying scales and parameters such as atomic weight, partial charge, bond type, and chirality. Our method's efficacy can be improved by incorporating additional parameters such as aromaticity, orbital hybridization, bond polarity, conjugated systems, as well as bond and torsion angles. Additionally, we leverage Stochastic Gradient Langevin Boosting in a Bayesian ensemble of GBDTs to obtain aleatoric and epistemic uncertainty estimates for gradient boosting models. With these uncertainty estimates, we prioritize high-uncertainty samples for active learning and model fine-tuning, benefiting scenarios where data labeling is costly or time consuming. Compared to conventional GNNs which usually suffer from oversmoothing and oversquashing, MPPH provides a more comprehensive and interpretable characterization of molecular data topology. We substantiate our approach with theoretical stability guarantees and demonstrate its superior performance over existing state-of-the-art methods in predicting molecular properties through extensive evaluations on the MoleculeNet benchmark datasets.  ( 2 min )

Indoor human monitoring systems leverage a wide range of sensors, including cameras, radio devices, and inertial measurement units, to collect extensive data from users and the environment. These sensors contribute diverse data modalities, such as video feeds from cameras, received signal strength indicators and channel state information from WiFi devices, and three-axis acceleration data from inertial measurement units. In this context, we present a comprehensive survey of multimodal approaches for indoor human monitoring systems, with a specific focus on their relevance in elderly care. Our survey primarily highlights non-contact technologies, particularly cameras and radio devices, as key components in the development of indoor human monitoring systems. Throughout this article, we explore well-established techniques for extracting features from multimodal data sources. Our exploration extends to methodologies for fusing these features and harnessing multiple modalities to improve the accuracy and robustness of machine learning models. Furthermore, we conduct comparative analysis across different data modalities in diverse human monitoring tasks and undertake a comprehensive examination of existing multimodal datasets. This extensive survey not only highlights the significance of indoor human monitoring systems but also affirms their versatile applications. In particular, we emphasize their critical role in enhancing the quality of elderly care, offering valuable insights into the development of non-contact monitoring solutions applicable to the needs of aging populations.  ( 3 min )

Robots' acceptability among humans and their sociability can be significantly enhanced by incorporating human-like reactions. Humans can react to environmental events very quickly and without thinking. An instance where humans display natural reactions is when they encounter a sudden and loud sound that startles or frightens them. During such moments, individuals may instinctively move their hands, turn toward the origin of the sound, and try to determine the event's cause. This inherent behavior motivated us to explore this less-studied part of social robotics. In this work, a multi-modal system composed of an action generator, sound classifier, and YOLO object detector was designed to sense the environment and, in the presence of sudden loud sounds, show natural human fear reactions, and finally, locate the fear-causing sound source in the environment. These unique and valid generated motions and inferences could imitate intrinsic human reactions and enhance the sociability of robots. For motion generation, a model based on LSTM and MDN networks was proposed to synthesize various motions. Also, in the case of sound detection, a transfer learning model was preferred that used the spectrogram of sound signals as its input. After developing individual models for sound detection, motion generation, and image recognition, they were integrated into a comprehensive fear module that was implemented on the NAO robot. Finally, the fear module was tested in practical application and two groups of experts and non-experts filled out a questionnaire to evaluate the performance of the robot. Given our promising results, this preliminary exploratory research provides a fresh perspective on social robotics and could be a starting point for modeling intrinsic human behaviors and emotions in robots.  ( 3 min )

Cadastres from the 19th century are a complex as well as rich source for historians and archaeologists, whose use presents them with great challenges. For archaeological and historical remote sensing, we have trained several Deep Learning models, CNNs as well as Vision Transformers, to extract large-scale data from this knowledge representation. We present the principle results of our work here and we present a the demonstrator of our browser-based tool that allows researchers and public stakeholders to quickly identify spots that featured buildings in the 19th century Franciscean Cadastre. The tool not only supports scholars and fellow researchers in building a better understanding of the settlement history of the region of Styria, it also helps public administration and fellow citizens to swiftly identify areas of heightened sensibility with regard to the cultural heritage of the region.  ( 2 min )

Given a pre-trained classifier and multiple human experts, we investigate the task of online classification where model predictions are provided for free but querying humans incurs a cost. In this practical but under-explored setting, oracle ground truth is not available. Instead, the prediction target is defined as the consensus vote of all experts. Given that querying full consensus can be costly, we propose a general framework for online Bayesian consensus estimation, leveraging properties of the multivariate hypergeometric distribution. Based on this framework, we propose a family of methods that dynamically estimate expert consensus from partial feedback by producing a posterior over expert and model beliefs. Analyzing this posterior induces an interpretable trade-off between querying cost and classification performance. We demonstrate the efficacy of our framework against a variety of baselines on CIFAR-10H and ImageNet-16H, two large-scale crowdsourced datasets.  ( 2 min )

Popular guidance for denoising diffusion probabilistic model (DDPM) linearly combines distinct conditional models together to provide enhanced control over samples. However, this approach overlooks nonlinear effects that become significant when guidance scale is large. To address this issue, we propose characteristic guidance, a novel method that provides non-linear correction for classifier-free guided DDPMs. Such correction forces the guided DDPMs to respect the Fokker-Planck equation of their underlying diffusion process, in a way that is first-principle, training-free, derivative-free, and compatible with existing sampling methods. Experiments show that characteristic guidance is robust to various applications, offers enhanced control over sample generation, suppresses color and exposure issues even for latent space sampling, and can handle physics problems such as the phase transitions.  ( 2 min )

X (formerly Twitter) has evolved into a contemporary agora, offering a platform for individuals to express opinions and viewpoints on current events. The majority of the topics discussed on Twitter are directly related to ongoing events, making it an important source for monitoring public discourse. However, linking tweets to specific news presents a significant challenge due to their concise and informal nature. Previous approaches, including topic models, graph-based models, and supervised classifiers, have fallen short in effectively capturing the unique characteristics of tweets and articles. Inspired by the success of the CLIP model in computer vision, which employs contrastive learning to model similarities between images and captions, this paper introduces a contrastive learning approach for training a representation space where linked articles and tweets exhibit proximity. We present our contrastive learning approach, CATBERT (Contrastive Articles Tweets BERT), leveraging pre-trained BERT models. The model is trained and tested on a dataset containing manually labeled English and Polish tweets and articles related to the Russian-Ukrainian war. We evaluate CATBERT's performance against traditional approaches like LDA, and the novel method based on OpenAI embeddings, which has not been previously applied to this task. Our findings indicate that CATBERT demonstrates superior performance in associating tweets with relevant news articles. Furthermore, we demonstrate the performance of the models when applied to finding the main topic -- represented by an article -- of the whole cascade of tweets. In this new task, we report the performance of the different models in dependence on the cascade size.  ( 3 min )

Likelihood-free inference is quickly emerging as a powerful tool to perform fast/effective parameter estimation. We demonstrate a technique of optimizing likelihood-free inference to make it even faster by marginalizing symmetries in a physical problem. In this approach, physical symmetries, for example, time-translation are learned using joint-embedding via self-supervised learning with symmetry data augmentations. Subsequently, parameter inference is performed using a normalizing flow where the embedding network is used to summarize the data before conditioning the parameters. We present this approach on two simple physical problems and we show faster convergence in a smaller number of parameters compared to a normalizing flow that does not use a pre-trained symmetry-informed representation.  ( 2 min )

The utilization of deep learning-based object detection is an effective approach to assist visually impaired individuals in avoiding obstacles. In this paper, we implemented seven different YOLO object detection models \textit{viz}., YOLO-NAS (small, medium, large), YOLOv8, YOLOv7, YOLOv6, and YOLOv5 and performed comprehensive evaluation with carefully tuned hyperparameters, to analyze how these models performed on images containing common daily-life objects presented on roads and sidewalks. After a systematic investigation, YOLOv8 was found to be the best model, which reached a precision of $80\%$ and a recall of $68.2\%$ on a well-known Obstacle Dataset which includes images from VOC dataset, COCO dataset, and TT100K dataset along with images collected by the researchers in the field. Despite being the latest model and demonstrating better performance in many other applications, YOLO-NAS was found to be suboptimal for the obstacle detection task.  ( 2 min )

Sleep detection and annotation are crucial for researchers to understand sleep patterns, especially in children. With modern wrist-worn watches comprising built-in accelerometers, sleep logs can be collected. However, the annotation of these logs into distinct sleep events: onset and wakeup, proves to be challenging. These annotations must be automated, precise, and scalable. We propose to model the accelerometer data using different machine learning (ML) techniques such as support vectors, boosting, ensemble methods, and more complex approaches involving LSTMs and Region-based CNNs. Later, we aim to evaluate these approaches using the Event Detection Average Precision (EDAP) score (similar to the IOU metric) to eventually compare the predictive power and model performance.  ( 2 min )

Large Language Models (LLMs) generalize well across language tasks, but suffer from hallucinations and uninterpretability, making it difficult to assess their accuracy without ground-truth. Retrieval-Augmented Generation (RAG) models have been proposed to reduce hallucinations and provide provenance for how an answer was generated. Applying such models to the scientific literature may enable large-scale, systematic processing of scientific knowledge. We present PaperQA, a RAG agent for answering questions over the scientific literature. PaperQA is an agent that performs information retrieval across full-text scientific articles, assesses the relevance of sources and passages, and uses RAG to provide answers. Viewing this agent as a question answering model, we find it exceeds performance of existing LLMs and LLM agents on current science QA benchmarks. To push the field closer to how humans perform research on scientific literature, we also introduce LitQA, a more complex benchmark that requires retrieval and synthesis of information from full-text scientific papers across the literature. Finally, we demonstrate PaperQA's matches expert human researchers on LitQA.  ( 2 min )

Recent advances in theoretical biology suggest that basal cognition and sentient behaviour are emergent properties of in vitro cell cultures and neuronal networks, respectively. Such neuronal networks spontaneously learn structured behaviours in the absence of reward or reinforcement. In this paper, we characterise this kind of self-organisation through the lens of the free energy principle, i.e., as self-evidencing. We do this by first discussing the definitions of reactive and sentient behaviour in the setting of active inference, which describes the behaviour of agents that model the consequences of their actions. We then introduce a formal account of intentional behaviour, that describes agents as driven by a preferred endpoint or goal in latent state-spaces. We then investigate these forms of (reactive, sentient, and intentional) behaviour using simulations. First, we simulate the aforementioned in vitro experiments, in which neuronal cultures spontaneously learn to play Pong, by implementing nested, free energy minimising processes. The simulations are then used to deconstruct the ensuing predictive behaviour, leading to the distinction between merely reactive, sentient, and intentional behaviour, with the latter formalised in terms of inductive planning. This distinction is further studied using simple machine learning benchmarks (navigation in a grid world and the Tower of Hanoi problem), that show how quickly and efficiently adaptive behaviour emerges under an inductive form of active inference.  ( 2 min )

Trust Region Policy Optimization (TRPO) attractively optimizes the policy while constraining the update of the new policy within a trust region, ensuring the stability and monotonic optimization. Building on the theoretical guarantees of trust region optimization, Proximal Policy Optimization (PPO) successfully enhances the algorithm's sample efficiency and reduces deployment complexity by confining the update of the new and old policies within a surrogate trust region. However, this approach is limited by the fixed setting of surrogate trust region and is not sufficiently adaptive, because there is no theoretical proof that the optimal clipping bound remains consistent throughout the entire training process, truncating the ratio of the new and old policies within surrogate trust region can ensure that the algorithm achieves its best performance, therefore, exploring and researching a dynamic clip bound for improving PPO's performance can be quite beneficial. To design an adaptive clipped trust region and explore the dynamic clip bound's impact on the performance of PPO, we introduce an adaptive PPO-CLIP (Adaptive-PPO) method that dynamically explores and exploits the clip bound using a bandit during the online training process. Furthermore, ample experiments will initially demonstrate that our Adaptive-PPO exhibits sample efficiency and performance compared to PPO-CLIP.  ( 2 min )

Traditional end-to-end (E2E) training of deep networks necessitates storing intermediate activations for back-propagation, resulting in a large memory footprint on GPUs and restricted model parallelization. As an alternative, greedy local learning partitions the network into gradient-isolated modules and trains supervisely based on local preliminary losses, thereby providing asynchronous and parallel training methods that substantially reduce memory cost. However, empirical experiments reveal that as the number of segmentations of the gradient-isolated module increases, the performance of the local learning scheme degrades substantially, severely limiting its expansibility. To avoid this issue, we theoretically analyze the greedy local learning from the standpoint of information theory and propose a ContSup scheme, which incorporates context supply between isolated modules to compensate for information loss. Experiments on benchmark datasets (i.e. CIFAR, SVHN, STL-10) achieve SOTA results and indicate that our proposed method can significantly improve the performance of greedy local learning with minimal memory and computational overhead, allowing for the boost of the number of isolated modules. Our codes are available at https://github.com/Tab-ct/ContSup.  ( 2 min )

In this paper, we consider differentially private classification when some features are sensitive, while the rest of the features and the label are not. We adapt the definition of differential privacy naturally to this setting. Our main contribution is a novel adaptation of AdaBoost that is not only provably differentially private, but also significantly outperforms a natural benchmark that assumes the entire data of the individual is sensitive in the experiments. As a surprising observation, we show that boosting randomly generated classifiers suffices to achieve high accuracy. Our approach easily adapts to the classical setting where all the features are sensitive, providing an alternate algorithm for differentially private linear classification with a much simpler privacy proof and comparable or higher accuracy than differentially private logistic regression on real-world datasets.  ( 2 min )

Existing open-vocabulary image segmentation methods require a fine-tuning step on mask annotations and/or image-text datasets. Mask labels are labor-intensive, which limits the number of categories in segmentation datasets. As a result, the open-vocabulary capacity of pre-trained VLMs is severely reduced after fine-tuning. However, without fine-tuning, VLMs trained under weak image-text supervision tend to make suboptimal mask predictions when there are text queries referring to non-existing concepts in the image. To alleviate these issues, we introduce a novel recurrent framework that progressively filters out irrelevant texts and enhances mask quality without training efforts. The recurrent unit is a two-stage segmenter built upon a VLM with frozen weights. Thus, our model retains the VLM's broad vocabulary space and strengthens its segmentation capability. Experimental results show that our method outperforms not only the training-free counterparts, but also those fine-tuned with millions of additional data samples, and sets new state-of-the-art records for both zero-shot semantic and referring image segmentation tasks. Specifically, we improve the current record by 28.8, 16.0, and 6.9 mIoU on Pascal VOC, COCO Object, and Pascal Context.  ( 2 min )

Robustness to distribution shift has become a growing concern for text and image models as they transition from research subjects to deployment in the real world. However, high-quality benchmarks for distribution shift in tabular machine learning tasks are still lacking despite the widespread real-world use of tabular data and differences in the models used for tabular data in comparison to text and images. As a consequence, the robustness of tabular models to distribution shift is poorly understood. To address this issue, we introduce TableShift, a distribution shift benchmark for tabular data. TableShift contains 15 binary classification tasks in total, each with an associated shift, and includes a diverse set of data sources, prediction targets, and distribution shifts. The benchmark covers domains including finance, education, public policy, healthcare, and civic participation, and is accessible using only a few lines of Python code via the TableShift API. We conduct a large-scale study comparing several state-of-the-art tabular data models alongside robust learning and domain generalization methods on the benchmark tasks. Our study demonstrates (1) a linear trend between in-distribution (ID) and out-of-distribution (OOD) accuracy; (2) domain robustness methods can reduce shift gaps but at the cost of reduced ID accuracy; (3) a strong relationship between shift gap (difference between ID and OOD performance) and shifts in the label distribution. The benchmark data, Python package, model implementations, and more information about TableShift are available at https://github.com/mlfoundations/tableshift and https://tableshift.org .  ( 2 min )

This article intends to systematically identify and comparatively analyze state-of-the-art supply chain (SC) forecasting strategies and technologies. A novel framework has been proposed incorporating Big Data Analytics in SC Management (problem identification, data sources, exploratory data analysis, machine-learning model training, hyperparameter tuning, performance evaluation, and optimization), forecasting effects on human-workforce, inventory, and overall SC. Initially, the need to collect data according to SC strategy and how to collect them has been discussed. The article discusses the need for different types of forecasting according to the period or SC objective. The SC KPIs and the error-measurement systems have been recommended to optimize the top-performing model. The adverse effects of phantom inventory on forecasting and the dependence of managerial decisions on the SC KPIs for determining model performance parameters and improving operations management, transparency, and planning efficiency have been illustrated. The cyclic connection within the framework introduces preprocessing optimization based on the post-process KPIs, optimizing the overall control process (inventory management, workforce determination, cost, production and capacity planning). The contribution of this research lies in the standard SC process framework proposal, recommended forecasting data analysis, forecasting effects on SC performance, machine learning algorithms optimization followed, and in shedding light on future research.  ( 3 min )

We consider the memorization capabilities of multilayered \emph{sign} perceptrons neural networks (SPNNs). A recent rigorous upper-bounding capacity characterization, obtained in \cite{Stojnictcmspnncaprdt23} utilizing the Random Duality Theory (RDT), demonstrated that adding neurons in a network configuration may indeed be very beneficial. Moreover, for particular \emph{treelike committee machines} (TCM) architectures with $d\leq 5$ neurons in the hidden layer, \cite{Stojnictcmspnncaprdt23} made a very first mathematically rigorous progress in over 30 years by lowering the previously best known capacity bounds of \cite{MitchDurb89}. Here, we first establish that the RDT bounds from \cite{Stojnictcmspnncaprdt23} scale as $\sim \sqrt{d}$ and can not on their own \emph{universally} (over the entire range of $d$) beat the best known $\sim \log(d)$ scaling of the bounds from \cite{MitchDurb89}. After recognizing that the progress from \cite{Stojnictcmspnncaprdt23} is therefore promising, but yet without a complete concretization, we then proceed by considering the recently developed fully lifted RDT (fl RDT) as an alternative. While the fl RDT is indeed a powerful juggernaut, it typically relies on heavy numerical evaluations. To avoid such heavy numerics, we here focus on a simplified, \emph{partially lifted}, variant and show that it allows for very neat, closed form, analytical capacity characterizations. Moreover, we obtain the concrete capacity bounds that \emph{universally} improve for \emph{any} $d$ over the best known ones of \cite{MitchDurb89}.  ( 2 min )

We propose a general optimization-based framework for computing differentially private M-estimators and a new method for constructing differentially private confidence regions. Firstly, we show that robust statistics can be used in conjunction with noisy gradient descent or noisy Newton methods in order to obtain optimal private estimators with global linear or quadratic convergence, respectively. We establish local and global convergence guarantees, under both local strong convexity and self-concordance, showing that our private estimators converge with high probability to a small neighborhood of the non-private M-estimators. Secondly, we tackle the problem of parametric inference by constructing differentially private estimators of the asymptotic variance of our private M-estimators. This naturally leads to approximate pivotal statistics for constructing confidence regions and conducting hypothesis testing. We demonstrate the effectiveness of a bias correction that leads to enhanced small-sample empirical performance in simulations. We illustrate the benefits of our methods in several numerical examples.  ( 2 min )

Uncertainty quantification is critical for deploying deep neural networks (DNNs) in real-world applications. An Auxiliary Uncertainty Estimator (AuxUE) is one of the most effective means to estimate the uncertainty of the main task prediction without modifying the main task model. To be considered robust, an AuxUE must be capable of maintaining its performance and triggering higher uncertainties while encountering Out-of-Distribution (OOD) inputs, i.e., to provide robust aleatoric and epistemic uncertainty. However, for vision regression tasks, current AuxUE designs are mainly adopted for aleatoric uncertainty estimates, and AuxUE robustness has not been explored. In this work, we propose a generalized AuxUE scheme for more robust uncertainty quantification on regression tasks. Concretely, to achieve a more robust aleatoric uncertainty estimation, different distribution assumptions are considered for heteroscedastic noise, and Laplace distribution is finally chosen to approximate the prediction error. For epistemic uncertainty, we propose a novel solution named Discretization-Induced Dirichlet pOsterior (DIDO), which models the Dirichlet posterior on the discretized prediction error. Extensive experiments on age estimation, monocular depth estimation, and super-resolution tasks show that our proposed method can provide robust uncertainty estimates in the face of noisy inputs and that it can be scalable to both image-level and pixel-wise tasks. Code is available at https://github.com/ENSTA-U2IS/DIDO .  ( 3 min )

Safeguarding privacy in sensitive training data is paramount, particularly in the context of generative modeling. This is done through either differentially private stochastic gradient descent, or with a differentially private metric for training models or generators. In this paper, we introduce a novel differentially private generative modeling approach based on parameter-free gradient flows in the space of probability measures. The proposed algorithm is a new discretized flow which operates through a particle scheme, utilizing drift derived from the sliced Wasserstein distance and computed in a private manner. Our experiments show that compared to a generator-based model, our proposed model can generate higher-fidelity data at a low privacy budget, offering a viable alternative to generator-based approaches.  ( 2 min )

Recent advances in computational modelling of atomic systems, spanning molecules, proteins, and materials, represent them as geometric graphs with atoms embedded as nodes in 3D Euclidean space. In these graphs, the geometric attributes transform according to the inherent physical symmetries of 3D atomic systems, including rotations and translations in Euclidean space, as well as node permutations. In recent years, Geometric Graph Neural Networks have emerged as the preferred machine learning architecture powering applications ranging from protein structure prediction to molecular simulations and material generation. Their specificity lies in the inductive biases they leverage -- such as physical symmetries and chemical properties -- to learn informative representations of these geometric graphs. In this opinionated paper, we provide a comprehensive and self-contained overview of the field of Geometric GNNs for 3D atomic systems. We cover fundamental background material and introduce a pedagogical taxonomy of Geometric GNN architectures:(1) invariant networks, (2) equivariant networks in Cartesian basis, (3) equivariant networks in spherical basis, and (4) unconstrained networks. Additionally, we outline key datasets and application areas and suggest future research directions. The objective of this work is to present a structured perspective on the field, making it accessible to newcomers and aiding practitioners in gaining an intuition for its mathematical abstractions.  ( 2 min )

Bayesian Experimental Design (BED), which aims to find the optimal experimental conditions for Bayesian inference, is usually posed as to optimize the expected information gain (EIG). The gradient information is often needed for efficient EIG optimization, and as a result the ability to estimate the gradient of EIG is essential for BED problems. The primary goal of this work is to develop methods for estimating the gradient of EIG, which, combined with the stochastic gradient descent algorithms, result in efficient optimization of EIG. Specifically, we first introduce a posterior expected representation of the EIG gradient with respect to the design variables. Based on this, we propose two methods for estimating the EIG gradient, UEEG-MCMC that leverages posterior samples generated through Markov Chain Monte Carlo (MCMC) to estimate the EIG gradient, and BEEG-AP that focuses on achieving high simulation efficiency by repeatedly using parameter samples. Theoretical analysis and numerical studies illustrate that UEEG-MCMC is robust agains the actual EIG value, while BEEG-AP is more efficient when the EIG value to be optimized is small. Moreover, both methods show superior performance compared to several popular benchmarks in our numerical experiments.  ( 2 min )

Although Gaussian processes (GPs) with deep kernels have been successfully used for meta-learning in regression tasks, its uncertainty estimation performance can be poor. We propose a meta-learning method for calibrating deep kernel GPs for improving regression uncertainty estimation performance with a limited number of training data. The proposed method meta-learns how to calibrate uncertainty using data from various tasks by minimizing the test expected calibration error, and uses the knowledge for unseen tasks. We design our model such that the adaptation and calibration for each task can be performed without iterative procedures, which enables effective meta-learning. In particular, a task-specific uncalibrated output distribution is modeled by a GP with a task-shared encoder network, and it is transformed to a calibrated one using a cumulative density function of a task-specific Gaussian mixture model (GMM). By integrating the GP and GMM into our neural network-based model, we can meta-learn model parameters in an end-to-end fashion. Our experiments demonstrate that the proposed method improves uncertainty estimation performance while keeping high regression performance compared with the existing methods using real-world datasets in few-shot settings.  ( 2 min )

Forecast combination involves using multiple forecasts to create a single, more accurate prediction. Recently, feature-based forecasting has been employed to either select the most appropriate forecasting models or to optimize the weights of their combination. In this paper, we present a multi-task optimization paradigm that focuses on solving both problems simultaneously and enriches current operational research approaches to forecasting. In essence, it incorporates an additional learning and optimization task into the standard feature-based forecasting approach, focusing on the identification of an optimal set of forecasting methods. During the training phase, an optimization model with linear constraints and quadratic objective function is employed to identify accurate and diverse methods for each time series. Moreover, within the training phase, a neural network is used to learn the behavior of that optimization model. Once training is completed the candidate set of methods is identified using the network. The proposed approach elicits the essential role of diversity in feature-based forecasting and highlights the interplay between model combination and model selection when optimizing forecasting ensembles. Experimental results on a large set of series from the M4 competition dataset show that our proposal enhances point forecast accuracy compared to state-of-the-art methods.  ( 2 min )

When the data used for reinforcement learning (RL) are collected by multiple agents in a distributed manner, federated versions of RL algorithms allow collaborative learning without the need for agents to share their local data. In this paper, we consider federated Q-learning, which aims to learn an optimal Q-function by periodically aggregating local Q-estimates trained on local data alone. Focusing on infinite-horizon tabular Markov decision processes, we provide sample complexity guarantees for both the synchronous and asynchronous variants of federated Q-learning. In both cases, our bounds exhibit a linear speedup with respect to the number of agents and near-optimal dependencies on other salient problem parameters. In the asynchronous setting, existing analyses of federated Q-learning, which adopt an equally weighted averaging of local Q-estimates, require that every agent covers the entire state-action space. In contrast, our improved sample complexity scales inverse proportionally to the minimum entry of the average stationary state-action occupancy distribution of all agents, thus only requiring the agents to collectively cover the entire state-action space, unveiling the blessing of heterogeneity in enabling collaborative learning by relaxing the coverage requirement of the single-agent case. However, its sample complexity still suffers when the local trajectories are highly heterogeneous. In response, we propose a novel federated Q-learning algorithm with importance averaging, giving larger weights to more frequently visited state-action pairs, which achieves a robust linear speedup as if all trajectories are centrally processed, regardless of the heterogeneity of local behavior policies.  ( 3 min )

Influenced mixed moving average fields are a versatile modeling class for spatio-temporal data. However, their predictive distribution is not generally known. Under this modeling assumption, we define a novel spatio-temporal embedding and a theory-guided machine learning approach that employs a generalized Bayesian algorithm to make ensemble forecasts. We employ Lipschitz predictors and determine fixed-time and any-time PAC Bayesian bounds in the batch learning setting. Performing causal forecast is a highlight of our methodology as its potential application to data with spatial and temporal short and long-range dependence. We then test the performance of our learning methodology by using linear predictors and data sets simulated from a spatio-temporal Ornstein-Uhlenbeck process.  ( 2 min )

We study statistical watermarking by formulating it as a hypothesis testing problem, a general framework which subsumes all previous statistical watermarking methods. Key to our formulation is a coupling of the output tokens and the rejection region, realized by pseudo-random generators in practice, that allows non-trivial trade-off between the Type I error and Type II error. We characterize the Uniformly Most Powerful (UMP) watermark in this context. In the most common scenario where the output is a sequence of $n$ tokens, we establish matching upper and lower bounds on the number of i.i.d. tokens required to guarantee small Type I and Type II errors. Our rate scales as $\Theta(h^{-1} \log (1/h))$ with respect to the average entropy per token $h$ and thus greatly improves the $O(h^{-2})$ rate in the previous works. For scenarios where the detector lacks knowledge of the model's distribution, we introduce the concept of model-agnostic watermarking and establish the minimax bounds for the resultant increase in Type II error. Moreover, we formulate the robust watermarking problem where user is allowed to perform a class of perturbation on the generated texts, and characterize the optimal type II error of robust UMP tests via a linear programming problem. To the best of our knowledge, this is the first systematic statistical treatment on the watermarking problem with near-optimal rates in the i.i.d. setting, and might be of interest for future works.  ( 3 min )

Thompson sampling (TS) has been known for its outstanding empirical performance supported by theoretical guarantees across various reward models in the classical stochastic multi-armed bandit problems. Nonetheless, its optimality is often restricted to specific priors due to the common observation that TS is fairly insensitive to the choice of the prior when it comes to asymptotic regret bounds. However, when the model contains multiple parameters, the optimality of TS highly depends on the choice of priors, which casts doubt on the generalizability of previous findings to other models. To address this gap, this study explores the impact of selecting noninformative priors, offering insights into the performance of TS when dealing with new models that lack theoretical understanding. We first extend the regret analysis of TS to the model of uniform distributions with unknown supports, which would be the simplest non-regular model. Our findings reveal that changing noninformative priors can significantly affect the expected regret, aligning with previously known results in other multiparameter bandit models. Although the uniform prior is shown to be optimal, we highlight the inherent limitation of its optimality, which is limited to specific parameterizations and emphasizes the significance of the invariance property of priors. In light of this limitation, we propose a slightly modified TS-based policy, called TS with Truncation (TS-T), which can achieve the asymptotic optimality for the Gaussian models and the uniform models by using the reference prior and the Jeffreys prior that are invariant under one-to-one reparameterizations. This policy provides an alternative approach to achieving optimality by employing fine-tuned truncation, which would be much easier than hunting for optimal priors in practice.  ( 3 min )

Deep generative models have made tremendous progress in modeling complex data, often exhibiting generation quality that surpasses a typical human's ability to discern the authenticity of samples. Undeniably, a key driver of this success is enabled by the massive amounts of web-scale data consumed by these models. Due to these models' striking performance and ease of availability, the web will inevitably be increasingly populated with synthetic content. Such a fact directly implies that future iterations of generative models must contend with the reality that their training is curated from both clean data and artificially generated data from past models. In this paper, we develop a framework to rigorously study the impact of training generative models on mixed datasets (of real and synthetic data) on their stability. We first prove the stability of iterative training under the condition that the initial generative models approximate the data distribution well enough and the proportion of clean training data (w.r.t. synthetic data) is large enough. We empirically validate our theory on both synthetic and natural images by iteratively training normalizing flows and state-of-the-art diffusion models on CIFAR10 and FFHQ.  ( 2 min )

In many real-world scenarios, it is crucial to be able to reliably and efficiently reason under uncertainty while capturing complex relationships in data. Probabilistic circuits (PCs), a prominent family of tractable probabilistic models, offer a remedy to this challenge by composing simple, tractable distributions into a high-dimensional probability distribution. However, learning PCs on heterogeneous data is challenging and densities of some parametric distributions are not available in closed form, limiting their potential use. We introduce characteristic circuits (CCs), a family of tractable probabilistic models providing a unified formalization of distributions over heterogeneous data in the spectral domain. The one-to-one relationship between characteristic functions and probability measures enables us to learn high-dimensional distributions on heterogeneous data domains and facilitates efficient probabilistic inference even when no closed-form density function is available. We show that the structure and parameters of CCs can be learned efficiently from the data and find that CCs outperform state-of-the-art density estimators for heterogeneous data domains on common benchmark data sets.  ( 2 min )

The randomly pivoted partial Cholesky algorithm (RPCholesky) computes a factorized rank-k approximation of an N x N positive-semidefinite (psd) matrix. RPCholesky requires only (k + 1) N entry evaluations and O(k^2 N) additional arithmetic operations, and it can be implemented with just a few lines of code. The method is particularly useful for approximating a kernel matrix. This paper offers a thorough new investigation of the empirical and theoretical behavior of this fundamental algorithm. For matrix approximation problems that arise in scientific machine learning, experiments show that RPCholesky matches or beats the performance of alternative algorithms. Moreover, RPCholesky provably returns low-rank approximations that are nearly optimal. The simplicity, effectiveness, and robustness of RPCholesky strongly support its use in scientific computing and machine learning applications.  ( 2 min )

Simple stochastic momentum methods are widely used in machine learning optimization, but their good practical performance is at odds with an absence of theoretical guarantees of acceleration in the literature. In this work, we aim to close the gap between theory and practice by showing that stochastic heavy ball momentum retains the fast linear rate of (deterministic) heavy ball momentum on quadratic optimization problems, at least when minibatching with a sufficiently large batch size. The algorithm we study can be interpreted as an accelerated randomized Kaczmarz algorithm with minibatching and heavy ball momentum. The analysis relies on carefully decomposing the momentum transition matrix, and using new spectral norm concentration bounds for products of independent random matrices. We provide numerical illustrations demonstrating that our bounds are reasonably sharp.  ( 2 min )

In practice, preference learning from human feedback depends on incomplete data with hidden context. Hidden context refers to data that affects the feedback received, but which is not represented in the data used to train a preference model. This captures common issues of data collection, such as having human annotators with varied preferences, cognitive processes that result in seemingly irrational behavior, and combining data labeled according to different criteria. We prove that standard applications of preference learning, including reinforcement learning from human feedback (RLHF), implicitly aggregate over hidden contexts according to a well-known voting rule called Borda count. We show this can produce counter-intuitive results that are very different from other methods which implicitly aggregate via expected utility. Furthermore, our analysis formalizes the way that preference learning from users with diverse values tacitly implements a social choice function. A key implication of this result is that annotators have an incentive to misreport their preferences in order to influence the learned model, leading to vulnerabilities in the deployment of RLHF. As a step towards mitigating these problems, we introduce a class of methods called distributional preference learning (DPL). DPL methods estimate a distribution of possible score values for each alternative in order to better account for hidden context. Experimental results indicate that applying DPL to RLHF for LLM chatbots identifies hidden context in the data and significantly reduces subsequent jailbreak vulnerability. Our code and data are available at https://github.com/cassidylaidlaw/hidden-context  ( 3 min )

Score matching is an approach to learning probability distributions parametrized up to a constant of proportionality (e.g. Energy-Based Models). The idea is to fit the score of the distribution, rather than the likelihood, thus avoiding the need to evaluate the constant of proportionality. While there's a clear algorithmic benefit, the statistical "cost'' can be steep: recent work by Koehler et al. 2022 showed that for distributions that have poor isoperimetric properties (a large Poincar\'e or log-Sobolev constant), score matching is substantially statistically less efficient than maximum likelihood. However, many natural realistic distributions, e.g. multimodal distributions as simple as a mixture of two Gaussians in one dimension -- have a poor Poincar\'e constant. In this paper, we show a close connection between the mixing time of a broad class of Markov processes with generator $\mathcal{L}$ and an appropriately chosen generalized score matching loss that tries to fit $\frac{\mathcal{O} p}{p}$. This allows us to adapt techniques to speed up Markov chains to construct better score-matching losses. In particular, ``preconditioning'' the diffusion can be translated to an appropriate ``preconditioning'' of the score loss. Lifting the chain by adding a temperature like in simulated tempering can be shown to result in a Gaussian-convolution annealed score matching loss, similar to Song and Ermon, 2019. Moreover, we show that if the distribution being learned is a finite mixture of Gaussians in $d$ dimensions with a shared covariance, the sample complexity of annealed score matching is polynomial in the ambient dimension, the diameter of the means, and the smallest and largest eigenvalues of the covariance -- obviating the Poincar\'e constant-based lower bounds of the basic score matching loss shown in Koehler et al. 2022.  ( 3 min )

Reinforcement learning (RL) theory has largely focused on proving minimax sample complexity bounds. These require strategic exploration algorithms that use relatively limited function classes for representing the policy or value function. Our goal is to explain why deep RL algorithms often perform well in practice, despite using random exploration and much more expressive function classes like neural networks. Our work arrives at an explanation by showing that many stochastic MDPs can be solved by performing only a few steps of value iteration on the random policy's Q function and then acting greedily. When this is true, we find that it is possible to separate the exploration and learning components of RL, making it much easier to analyze. We introduce a new RL algorithm, SQIRL, that iteratively learns a near-optimal policy by exploring randomly to collect rollouts and then performing a limited number of steps of fitted-Q iteration over those rollouts. Any regression algorithm that satisfies basic in-distribution generalization properties can be used in SQIRL to efficiently solve common MDPs. This can explain why deep RL works neural networks, since it is empirically established that neural networks generalize well in-distribution. Furthermore, SQIRL explains why random exploration works well in practice, since we show many environments can be solved by estimating the random policy's Q-function and then applying zero or a few steps of value iteration. We leverage SQIRL to derive instance-dependent sample complexity bounds for RL that are exponential only in an "effective horizon" of lookahead and on the complexity of the class used for function approximation. Empirically, we also find that SQIRL performance strongly correlates with PPO and DQN performance in a variety of stochastic environments, supporting that our theoretical analysis is predictive of practical performance.  ( 3 min )

Active learning can improve the efficiency of training prediction models by identifying the most informative new labels to acquire. However, non-response to label requests can impact active learning's effectiveness in real-world contexts. We conceptualise this degradation by considering the type of non-response present in the data, demonstrating that biased non-response is particularly detrimental to model performance. We argue that this sort of non-response is particularly likely in contexts where the labelling process, by nature, relies on user interactions. To mitigate the impact of biased non-response, we propose a cost-based correction to the sampling strategy--the Upper Confidence Bound of the Expected Utility (UCB-EU)--that can, plausibly, be applied to any active learning algorithm. Through experiments, we demonstrate that our method successfully reduces the harm from labelling non-response in many settings. However, we also characterise settings where the non-response bias in the annotations remains detrimental under UCB-EU for particular sampling methods and data generating processes. Finally, we evaluate our method on a real-world dataset from e-commerce platform Taobao. We show that UCB-EU yields substantial performance improvements to conversion models that are trained on clicked impressions. Most generally, this research serves to both better conceptualise the interplay between types of non-response and model improvements via active learning, and to provide a practical, easy to implement correction that helps mitigate model degradation.  ( 2 min )

We study the capacity of \emph{sign} perceptrons neural networks (SPNN) and particularly focus on 1-hidden layer \emph{treelike committee machine} (TCM) architectures. Similarly to what happens in the case of a single perceptron neuron, it turns out that, in a statistical sense, the capacity of a corresponding multilayered network architecture consisting of multiple \emph{sign} perceptrons also undergoes the so-called phase transition (PT) phenomenon. This means: (i) for certain range of system parameters (size of data, number of neurons), the network can be properly trained to accurately memorize \emph{all} elements of the input dataset; and (ii) outside the region such a training does not exist. Clearly, determining the corresponding phase transition curve that separates these regions is an extraordinary task and among the most fundamental questions related to the performance of any network. Utilizing powerful mathematical engine called Random Duality Theory (RDT), we establish a generic framework for determining the upper bounds on the 1-hidden layer TCM SPNN capacity. Moreover, we do so for \emph{any} given (odd) number of neurons. We further show that the obtained results \emph{exactly} match the replica symmetry predictions of \cite{EKTVZ92,BHS92}, thereby proving that the statistical physics based results are not only nice estimates but also mathematically rigorous bounds as well. Moreover, for $d\leq 5$, we obtain the capacity values that improve on the best known rigorous ones of \cite{MitchDurb89}, thereby establishing a first, mathematically rigorous, progress in well over 30 years.  ( 3 min )

Embeddings are a basic initial feature extraction step in many machine learning models, particularly in natural language processing. An embedding attempts to map data tokens to a low-dimensional space where similar tokens are mapped to vectors that are close to one another by some metric in the embedding space. A basic question is how well can such embedding be learned? To study this problem, we consider a simple probability model for discrete data where there is some "true" but unknown embedding where the correlation of random variables is related to the similarity of the embeddings. Under this model, it is shown that the embeddings can be learned by a variant of low-rank approximate message passing (AMP) method. The AMP approach enables precise predictions of the accuracy of the estimation in certain high-dimensional limits. In particular, the methodology provides insight on the relations of key parameters such as the number of samples per value, the frequency of the terms, and the strength of the embedding correlation on the probability distribution. Our theoretical findings are validated by simulations on both synthetic data and real text data.  ( 2 min )

The Multi-Reference Alignment (MRA) problem aims at the recovery of an unknown signal from repeated observations under the latent action of a group of cyclic isometries, in the presence of additive noise of high intensity $\sigma$. It is a more tractable version of the celebrated cryo EM model. In the crucial high noise regime, it is known that its sample complexity scales as $\sigma^6$. Recent investigations have shown that for the practically significant setting of sparse signals, the sample complexity of the maximum likelihood estimator asymptotically scales with the noise level as $\sigma^4$. In this work, we investigate minimax optimality for signal estimation under the MRA model for so-called collision-free signals. In particular, this signal class covers the setting of generic signals of dilute sparsity (wherein the support size $s=O(L^{1/3})$, where $L$ is the ambient dimension. We demonstrate that the minimax optimal rate of estimation in for the sparse MRA problem in this setting is $\sigma^2/\sqrt{n}$, where $n$ is the sample size. In particular, this widely generalizes the sample complexity asymptotics for the restricted MLE in this setting, establishing it as the statistically optimal estimator. Finally, we demonstrate a concentration inequality for the restricted MLE on its deviations from the ground truth.  ( 2 min )

Machine Learning (ML) algorithms are powerful data-driven tools for approximating high-dimensional or non-linear nuisance functions which are useful in practice because the true functional form of the predictors is ex-ante unknown. In this paper, we develop estimators of policy interventions from panel data which allow for non-linear effects of the confounding regressors, and investigate the performance of these estimators using three well-known ML algorithms, specifically, LASSO, classification and regression trees, and random forests. We use Double Machine Learning (DML) (Chernozhukov et al., 2018) for the estimation of causal effects of homogeneous treatments with unobserved individual heterogeneity (fixed effects) and no unobserved confounding by extending Robinson (1988)'s partially linear regression model. We develop three alternative approaches for handling unobserved individual heterogeneity based on extending the within-group estimator, first-difference estimator, and correlated random effect estimator (Mundlak, 1978) for non-linear models. Using Monte Carlo simulations, we find that conventional least squares estimators can perform well even if the data generating process is non-linear, but there are substantial performance gains in terms of bias reduction under a process where the true effect of the regressors is non-linear and discontinuous. However, for the same scenarios, we also find -- despite extensive hyperparameter tuning -- inference to be problematic for both tree-based learners because these lead to highly non-normal estimator distributions and the estimator variance being severely under-estimated. This contradicts the performance of trees in other circumstances and requires further investigation. Finally, we provide an illustrative example of DML for observational panel data showing the impact of the introduction of the national minimum wage in the UK.  ( 3 min )

Given a pre-trained classifier and multiple human experts, we investigate the task of online classification where model predictions are provided for free but querying humans incurs a cost. In this practical but under-explored setting, oracle ground truth is not available. Instead, the prediction target is defined as the consensus vote of all experts. Given that querying full consensus can be costly, we propose a general framework for online Bayesian consensus estimation, leveraging properties of the multivariate hypergeometric distribution. Based on this framework, we propose a family of methods that dynamically estimate expert consensus from partial feedback by producing a posterior over expert and model beliefs. Analyzing this posterior induces an interpretable trade-off between querying cost and classification performance. We demonstrate the efficacy of our framework against a variety of baselines on CIFAR-10H and ImageNet-16H, two large-scale crowdsourced datasets.  ( 2 min )

Traditional end-to-end (E2E) training of deep networks necessitates storing intermediate activations for back-propagation, resulting in a large memory footprint on GPUs and restricted model parallelization. As an alternative, greedy local learning partitions the network into gradient-isolated modules and trains supervisely based on local preliminary losses, thereby providing asynchronous and parallel training methods that substantially reduce memory cost. However, empirical experiments reveal that as the number of segmentations of the gradient-isolated module increases, the performance of the local learning scheme degrades substantially, severely limiting its expansibility. To avoid this issue, we theoretically analyze the greedy local learning from the standpoint of information theory and propose a ContSup scheme, which incorporates context supply between isolated modules to compensate for information loss. Experiments on benchmark datasets (i.e. CIFAR, SVHN, STL-10) achieve SOTA results and indicate that our proposed method can significantly improve the performance of greedy local learning with minimal memory and computational overhead, allowing for the boost of the number of isolated modules. Our codes are available at https://github.com/Tab-ct/ContSup.  ( 2 min )

The increasing interest in data sharing makes synthetic data appealing. However, the analysis of synthetic data raises a unique set of methodological challenges. In this work, we highlight the importance of inferential utility and provide empirical evidence against naive inference from synthetic data (that handles these as if they were really observed). We argue that the rate of false-positive findings (type 1 error) will be unacceptably high, even when the estimates are unbiased. One of the reasons is the underestimation of the true standard error, which may even progressively increase with larger sample sizes due to slower convergence. This is especially problematic for deep generative models. Before publishing synthetic data, it is essential to develop statistical inference tools for such data.  ( 2 min )

Symmetric positive definite~(SPD) matrices have shown important value and applications in statistics and machine learning, such as FMRI analysis and traffic prediction. Previous works on SPD matrices mostly focus on discriminative models, where predictions are made directly on $E(X|y)$, where $y$ is a vector and $X$ is an SPD matrix. However, these methods are challenging to handle for large-scale data, as they need to access and process the whole data. In this paper, inspired by denoising diffusion probabilistic model~(DDPM), we propose a novel generative model, termed SPD-DDPM, by introducing Gaussian distribution in the SPD space to estimate $E(X|y)$. Moreover, our model is able to estimate $p(X)$ unconditionally and flexibly without giving $y$. On the one hand, the model conditionally learns $p(X|y)$ and utilizes the mean of samples to obtain $E(X|y)$ as a prediction. On the other hand, the model unconditionally learns the probability distribution of the data $p(X)$ and generates samples that conform to this distribution. Furthermore, we propose a new SPD net which is much deeper than the previous networks and allows for the inclusion of conditional factors. Experiment results on toy data and real taxi data demonstrate that our models effectively fit the data distribution both unconditionally and unconditionally and provide accurate predictions.  ( 2 min )

In the standard formulation of the denoising problem, one is given a probabilistic model relating a latent variable $\Theta \in \Omega \subset \mathbb{R}^m \; (m\ge 1)$ and an observation $Z \in \mathbb{R}^d$ according to: $Z \mid \Theta \sim p(\cdot\mid \Theta)$ and $\Theta \sim G^*$, and the goal is to construct a map to recover the latent variable from the observation. The posterior mean, a natural candidate for estimating $\Theta$ from $Z$, attains the minimum Bayes risk (under the squared error loss) but at the expense of over-shrinking the $Z$, and in general may fail to capture the geometric features of the prior distribution $G^*$ (e.g., low dimensionality, discreteness, sparsity, etc.). To rectify these drawbacks, in this paper we take a new perspective on this denoising problem that is inspired by optimal transport (OT) theory and use it to propose a new OT-based denoiser at the population level setting. We rigorously prove that, under general assumptions on the model, our OT-based denoiser is well-defined and unique, and is closely connected to solutions to a Monge OT problem. We then prove that, under appropriate identifiability assumptions on the model, our OT-based denoiser can be recovered solely from information of the marginal distribution of $Z$ and the posterior mean of the model, after solving a linear relaxation problem over a suitable space of couplings that is reminiscent of a standard multimarginal OT (MOT) problem. In particular, thanks to Tweedie's formula, when the likelihood model $\{ p(\cdot \mid \theta) \}_{\theta \in \Omega}$ is an exponential family of distributions, the OT-based denoiser can be recovered solely from the marginal distribution of $Z$. In general, our family of OT-like relaxations is of interest in its own right and for the denoising problem suggests alternative numerical methods inspired by the rich literature on computational OT.  ( 3 min )

We propose a novel combinatorial stochastic-greedy bandit (SGB) algorithm for combinatorial multi-armed bandit problems when no extra information other than the joint reward of the selected set of $n$ arms at each time step $t\in [T]$ is observed. SGB adopts an optimized stochastic-explore-then-commit approach and is specifically designed for scenarios with a large set of base arms. Unlike existing methods that explore the entire set of unselected base arms during each selection step, our SGB algorithm samples only an optimized proportion of unselected arms and selects actions from this subset. We prove that our algorithm achieves a $(1-1/e)$-regret bound of $\mathcal{O}(n^{\frac{1}{3}} k^{\frac{2}{3}} T^{\frac{2}{3}} \log(T)^{\frac{2}{3}})$ for monotone stochastic submodular rewards, which outperforms the state-of-the-art in terms of the cardinality constraint $k$. Furthermore, we empirically evaluate the performance of our algorithm in the context of online constrained social influence maximization. Our results demonstrate that our proposed approach consistently outperforms the other algorithms, increasing the performance gap as $k$ grows.  ( 2 min )

Causal abstraction (CA) theory establishes formal criteria for relating multiple structural causal models (SCMs) at different levels of granularity by defining maps between them. These maps have significant relevance for real-world challenges such as synthesizing causal evidence from multiple experimental environments, learning causally consistent representations at different resolutions, and linking interventions across multiple SCMs. In this work, we propose COTA, the first method to learn abstraction maps from observational and interventional data without assuming complete knowledge of the underlying SCMs. In particular, we introduce a multi-marginal Optimal Transport (OT) formulation that enforces do-calculus causal constraints, together with a cost function that relies on interventional information. We extensively evaluate COTA on synthetic and real world problems, and showcase its advantages over non-causal, independent and aggregated COTA formulations. Finally, we demonstrate the efficiency of our method as a data augmentation tool by comparing it against the state-of-the-art CA learning framework, which assumes fully specified SCMs, on a real-world downstream task.  ( 2 min )

Efficient probability density estimation is a core challenge in statistical machine learning. Tensor-based probabilistic graph methods address interpretability and stability concerns encountered in neural network approaches. However, a substantial number of potential tensor permutations can lead to a tensor network with the same structure but varying expressive capabilities. In this paper, we take tensor ring decomposition for density estimator, which significantly reduces the number of permutation candidates while enhancing expressive capability compared with existing used decompositions. Additionally, a mixture model that incorporates multiple permutation candidates with adaptive weights is further designed, resulting in increased expressive flexibility and comprehensiveness. Different from the prevailing directions of tensor network structure/permutation search, our approach provides a new viewpoint inspired by ensemble learning. This approach acknowledges that suboptimal permutations can offer distinctive information besides that of optimal permutations. Experiments show the superiority of the proposed approach in estimating probability density for moderately dimensional datasets and sampling to capture intricate details.  ( 2 min )

This paper presents the "Uncertainty-aware Mixture of Experts" (uMoE), a novel approach designed to address aleatoric uncertainty in the training of predictive models based on Neural Networks (NNs). While existing methods primarily focus on managing uncertainty during infer-ence, uMoE integrates uncertainty directly into the train-ing process. The uMoE approach adopts a "Divide and Conquer" paradigm to partition the uncertain input space into more manageable subspaces. It consists of Expert components, each trained solely on the portion of input uncertainty corresponding to their subspace. On top of the Experts, a Gating Unit, guided by additional infor-mation about the distribution of uncertain inputs across these subspaces, learns to weight the Experts to minimize deviations from the ground truth. Our results highlight that uMoE significantly outperforms baseline methods in handling data uncertainty. Furthermore, we conducted a robustness analysis, illustrating its capability to adapt to varying levels of uncertainty and suggesting optimal threshold parameters. This innovative approach holds wide applicability across diverse data-driven domains, in-cluding biomedical signal processing, autonomous driv-ing, and production quality control.  ( 2 min )

In this paper we introduce GP+, an open-source library for kernel-based learning via Gaussian processes (GPs) which are powerful statistical models that are completely characterized by their parametric covariance and mean functions. GP+ is built on PyTorch and provides a user-friendly and object-oriented tool for probabilistic learning and inference. As we demonstrate with a host of examples, GP+ has a few unique advantages over other GP modeling libraries. We achieve these advantages primarily by integrating nonlinear manifold learning techniques with GPs' covariance and mean functions. As part of introducing GP+, in this paper we also make methodological contributions that (1) enable probabilistic data fusion and inverse parameter estimation, and (2) equip GPs with parsimonious parametric mean functions which span mixed feature spaces that have both categorical and quantitative variables. We demonstrate the impact of these contributions in the context of Bayesian optimization, multi-fidelity modeling, sensitivity analysis, and calibration of computer models.  ( 2 min )

The Energy and Climate Hack presented opportunities for students and companies to collaborate and develop innovative solutions.  ( 8 min )

Amazon SageMaker Studio offers a broad set of fully managed integrated development environments (IDEs) for machine learning (ML) development, including JupyterLab, Code Editor based on Code-OSS (Visual Studio Code Open Source), and RStudio. It provides access to the most comprehensive set of tools for each step of ML development, from preparing data to building, training, […]  ( 16 min )

This is a customer post jointly authored by ICL and AWS employees. ICL is a multi-national manufacturing and mining corporation based in Israel that manufactures products based on unique minerals and fulfills humanity’s essential needs, primarily in three markets: agriculture, food, and engineered materials. Their mining sites use industrial equipment that has to be monitored […]  ( 8 min )

Amazon Comprehend is a natural-language processing (NLP) service that provides pre-trained and custom APIs to derive insights from textual data. Amazon Comprehend customers can train custom named entity recognition (NER) models to extract entities of interest, such as location, person name, and date, that are unique to their business. To train a custom model, you […]  ( 8 min )

Text-to-image generation is a rapidly growing field of artificial intelligence with applications in a variety of areas, such as media and entertainment, gaming, ecommerce product visualization, advertising and marketing, architectural design and visualization, artistic creations, and medical imaging. Stable Diffusion is a text-to-image model that empowers you to create high-quality images within seconds. In November […]  ( 9 min )

This post outlines the ETL pipeline we developed for feature processing for training and deploying a job recommender model at Talent.com. Our pipeline uses SageMaker Processing jobs for efficient data processing and feature extraction at a large scale. Feature extraction code is implemented in Python enabling the use of popular ML libraries to perform feature extraction at scale, without the need to port the code to use PySpark.  ( 10 min )

This GFN Thursday is burning rubber with the latest Forza Horizon games from Microsoft Studios. Check them out on PC Game Pass. Plus, give the gift of cloud gaming with the latest membership bundle, which includes a free, three-month PC Game Pass subscription with the purchase of a six-month GeForce NOW Ultimate membership. It’s all Read article >  ( 6 min )

We’re launching $10M in grants to support technical research towards the alignment and safety of superhuman AI systems, including weak-to-strong generalization, interpretability, scalable oversight, and more.  ( 2 min )

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We present a new research direction for superalignment, together with promising initial results: can we leverage the generalization properties of deep learning to control strong models with weak supervisors?  ( 3 min )

Many applications in Reinforcement Learning (RL) usually have noise or stochasticity present in the environment. Beyond their impact on learning, these uncertainties lead the exact same policy to perform differently, i.e. yield different return, from one roll-out to another. Common evaluation procedures in RL summarise the consequent return distributions using solely the expected return, which does not account for the spread of the distribution. Our work defines this spread as the policy reproducibility: the ability of a policy to obtain similar performance when rolled out many times, a crucial property in some real-world applications. We highlight that existing procedures that only use the expected return are limited on two fronts: first an infinite number of return distributions with a wide range of performance-reproducibility trade-offs can have the same expected return, limiting its effectiveness when used for comparing policies; second, the expected return metric does not leave any room for practitioners to choose the best trade-off value for considered applications. In this work, we address these limitations by recommending the use of Lower Confidence Bound, a metric taken from Bayesian optimisation that provides the user with a preference parameter to choose a desired performance-reproducibility trade-off. We also formalise and quantify policy reproducibility, and demonstrate the benefit of our metrics using extensive experiments of popular RL algorithms on common uncertain RL tasks.  ( 2 min )

In Reinforcement Learning (RL), enhancing sample efficiency is crucial, particularly in scenarios when data acquisition is costly and risky. In principle, off-policy RL algorithms can improve sample efficiency by allowing multiple updates per environment interaction. However, these multiple updates often lead the model to overfit to earlier interactions, which is referred to as the loss of plasticity. Our study investigates the underlying causes of this phenomenon by dividing plasticity into two aspects. Input plasticity, which denotes the model's adaptability to changing input data, and label plasticity, which denotes the model's adaptability to evolving input-output relationships. Synthetic experiments on the CIFAR-10 dataset reveal that finding smoother minima of loss landscape enhances input plasticity, whereas refined gradient propagation improves label plasticity. Leveraging these findings, we introduce the PLASTIC algorithm, which harmoniously combines techniques to address both concerns. With minimal architectural modifications, PLASTIC achieves competitive performance on benchmarks including Atari-100k and Deepmind Control Suite. This result emphasizes the importance of preserving the model's plasticity to elevate the sample efficiency in RL. The code is available at https://github.com/dojeon-ai/plastic.  ( 2 min )

Planet-scale image geolocalization remains a challenging problem due to the diversity of images originating from anywhere in the world. Although approaches based on vision transformers have made significant progress in geolocalization accuracy, success in prior literature is constrained to narrow distributions of images of landmarks, and performance has not generalized to unseen places. We present a new geolocalization system that combines semantic geocell creation, multi-task contrastive pretraining, and a novel loss function. Additionally, our work is the first to perform retrieval over location clusters for guess refinements. We train two models for evaluations on street-level data and general-purpose image geolocalization; the first model, PIGEON, is trained on data from the game of Geoguessr and is capable of placing over 40% of its guesses within 25 kilometers of the target location globally. We also develop a bot and deploy PIGEON in a blind experiment against humans, ranking in the top 0.01% of players. We further challenge one of the world's foremost professional Geoguessr players to a series of six matches with millions of viewers, winning all six games. Our second model, PIGEOTTO, differs in that it is trained on a dataset of images from Flickr and Wikipedia, achieving state-of-the-art results on a wide range of image geolocalization benchmarks, outperforming the previous SOTA by up to 7.7 percentage points on the city accuracy level and up to 38.8 percentage points on the country level. Our findings suggest that PIGEOTTO is the first image geolocalization model that effectively generalizes to unseen places and that our approach can pave the way for highly accurate, planet-scale image geolocalization systems. Our code is available on GitHub.  ( 3 min )

Deep image prior (DIP) and its variants have showed remarkable potential for solving inverse problems in computer vision, without any extra training data. Practical DIP models are often substantially overparameterized. During the fitting process, these models learn mostly the desired visual content first, and then pick up the potential modeling and observational noise, i.e., overfitting. Thus, the practicality of DIP often depends critically on good early stopping (ES) that captures the transition period. In this regard, the majority of DIP works for vision tasks only demonstrates the potential of the models -- reporting the peak performance against the ground truth, but provides no clue about how to operationally obtain near-peak performance without access to the groundtruth. In this paper, we set to break this practicality barrier of DIP, and propose an efficient ES strategy, which consistently detects near-peak performance across several vision tasks and DIP variants. Based on a simple measure of dispersion of consecutive DIP reconstructions, our ES method not only outpaces the existing ones -- which only work in very narrow domains, but also remains effective when combined with a number of methods that try to mitigate the overfitting. The code is available at https://github.com/sun-umn/Early_Stopping_for_DIP.  ( 3 min )

Deep learning in general focuses on training a neural network from large labeled datasets. Yet, in many cases there is value in training a network just from the input at hand. This may involve training a network from scratch using a single input or adapting an already trained network to a provided input example at inference time. This survey paper aims at covering deep internal-learning techniques that have been proposed in the past few years for these two important directions. While our main focus will be on image processing problems, most of the approaches that we survey are derived for general signals (vectors with recurring patterns that can be distinguished from noise) and are therefore applicable to other modalities. We believe that the topic of internal-learning is very important in many signal and image processing problems where training data is scarce and diversity is large on the one hand, and on the other, there is a lot of structure in the data that can be exploited.  ( 2 min )

We present Cross-Client Label Propagation(XCLP), a new method for transductive federated learning. XCLP estimates a data graph jointly from the data of multiple clients and computes labels for the unlabeled data by propagating label information across the graph. To avoid clients having to share their data with anyone, XCLP employs two cryptographically secure protocols: secure Hamming distance computation and secure summation. We demonstrate two distinct applications of XCLP within federated learning. In the first, we use it in a one-shot way to predict labels for unseen test points. In the second, we use it to repeatedly pseudo-label unlabeled training data in a federated semi-supervised setting. Experiments on both real federated and standard benchmark datasets show that in both applications XCLP achieves higher classification accuracy than alternative approaches.  ( 2 min )

In this paper, we study the mistake bound of online kernel learning on a budget. We propose a new budgeted online kernel learning model, called Ahpatron, which significantly improves the mistake bound of previous work and resolves the open problem posed by Dekel, Shalev-Shwartz, and Singer (2005). We first present an aggressive variant of Perceptron, named AVP, a model without budget, which uses an active updating rule. Then we design a new budget maintenance mechanism, which removes a half of examples,and projects the removed examples onto a hypothesis space spanned by the remaining examples. Ahpatron adopts the above mechanism to approximate AVP. Theoretical analyses prove that Ahpatron has tighter mistake bounds, and experimental results show that Ahpatron outperforms the state-of-the-art algorithms on the same or a smaller budget.  ( 2 min )

We propose a zero-shot approach for consistent Text-to-Animated-Characters synthesis based on pre-trained Text-to-Image (T2I) diffusion models. Existing Text-to-Video (T2V) methods are expensive to train and require large-scale video datasets to produce diverse characters and motions. At the same time, their zero-shot alternatives fail to produce temporally consistent videos. We strive to bridge this gap, and we introduce a zero-shot approach that produces temporally consistent videos of animated characters and requires no training or fine-tuning. We leverage existing text-based motion diffusion models to generate diverse motions that we utilize to guide a T2I model. To achieve temporal consistency, we introduce the Spatial Latent Alignment module that exploits cross-frame dense correspondences that we compute to align the latents of the video frames. Furthermore, we propose Pixel-Wise Guidance to steer the diffusion process in a direction that minimizes visual discrepancies. Our proposed approach generates temporally consistent videos with diverse motions and styles, outperforming existing zero-shot T2V approaches in terms of pixel-wise consistency and user preference.  ( 2 min )

Flow cytometry is widely used to identify cell populations in patient-derived fluids such as peripheral blood (PB) or cerebrospinal fluid (CSF). While ubiquitous in research and clinical practice, flow cytometry requires gating, i.e. cell type identification which requires labor-intensive and error-prone manual adjustments. To facilitate this process, we designed GateNet, the first neural network architecture enabling full end-to-end automated gating without the need to correct for batch effects. We train GateNet with over 8,000,000 events based on N=127 PB and CSF samples which were manually labeled independently by four experts. We show that for novel, unseen samples, GateNet achieves human-level performance (F1 score ranging from 0.910 to 0.997). In addition we apply GateNet to a publicly available dataset confirming generalization with an F1 score of 0.936. As our implementation utilizes graphics processing units (GPU), gating only needs 15 microseconds per event. Importantly, we also show that GateNet only requires ~10 samples to reach human-level performance, rendering it widely applicable in all domains of flow cytometry.  ( 2 min )

Device-free human presence detection is a crucial technology for various applications, including home automation, security, and healthcare. While camera-based systems have traditionally been used for this purpose, they raise privacy concerns. To address this issue, recent research has explored the use of wireless channel state information (CSI) extracted from commercial WiFi access points (APs) to provide detailed channel characteristics. In this paper, we propose a device-free human presence detection system for multi-room scenarios using a time-selective conditional dual feature extract recurrent network (TCD-FERN). Our system is designed to capture significant time features on current human features using a dynamic and static data preprocessing technique. We extract both moving and spatial features of people and differentiate between line-of-sight (LoS) and non-line-of-sight (NLoS) cases. Subcarrier fusion is carried out in order to provide more objective variation of each sample while reducing the computational complexity. A voting scheme is further adopted to mitigate the feature attenuation problem caused by room partitions, with around 3% improvement of human presence detection accuracy. Experimental results have revealed the significant improvement of leveraging subcarrier fusion, dual-feature recurrent network, time selection and condition mechanisms. Compared to the existing works in open literature, our proposed TCD-FERN system can achieve above 97% of human presence detection accuracy for multi-room scenarios with the adoption of fewer WiFi APs.  ( 3 min )

Point clouds are versatile representations of 3D objects and have found widespread application in science and engineering. Many successful deep-learning models have been proposed that use them as input. The domain of chemical and materials modeling is especially challenging because exact compliance with physical constraints is highly desirable for a model to be usable in practice. These constraints include smoothness and invariance with respect to translations, rotations, and permutations of identical atoms. If these requirements are not rigorously fulfilled, atomistic simulations might lead to absurd outcomes even if the model has excellent accuracy. Consequently, dedicated architectures, which achieve invariance by restricting their design space, have been developed. General-purpose point-cloud models are more varied but often disregard rotational symmetry. We propose a general symmetrization method that adds rotational equivariance to any given model while preserving all the other requirements. Our approach simplifies the development of better atomic-scale ML schemes by relaxing the constraints on the design space and making it possible to incorporate ideas that proved effective in other domains. We demonstrate this idea by introducing the Point Edge Transformer (PET) architecture, which is not intrinsically equivariant but achieves state-of-the-art performance on several benchmark datasets of molecules and solids. A-posteriori application of our general protocol makes PET exactly equivariant, with minimal changes to its accuracy.  ( 3 min )

Optimization is an integral part of modern deep learning. Recently, the concept of learned optimizers has emerged as a way to accelerate this optimization process by replacing traditional, hand-crafted algorithms with meta-learned functions. Despite the initial promising results of these methods, issues with stability and generalization still remain, limiting their practical use. Moreover, their inner workings and behavior under different conditions are not yet fully understood, making it difficult to come up with improvements. For this reason, our work examines their optimization trajectories from the perspective of network architecture symmetries and parameter update distributions. Furthermore, by contrasting the learned optimizers with their manually designed counterparts, we identify several key insights that demonstrate how each approach can benefit from the strengths of the other.  ( 2 min )

In this study, we automate quantitative mammographic breast density estimation with neural networks and show that this tool is a strong use case for federated learning on multi-institutional datasets. Our dataset included bilateral CC-view and MLO-view mammographic images from two separate institutions. Two U-Nets were separately trained on algorithm-generated labels to perform segmentation of the breast and dense tissue from these images and subsequently calculate breast percent density (PD). The networks were trained with federated learning and compared to three non-federated baselines, one trained on each single-institution dataset and one trained on the aggregated multi-institution dataset. We demonstrate that training on multi-institution datasets is critical to algorithm generalizability. We further show that federated learning on multi-institutional datasets improves model generalization to unseen data at nearly the same level as centralized training on multi-institutional datasets, indicating that federated learning can be applied to our method to improve algorithm generalizability while maintaining patient privacy.  ( 2 min )

Traditional molecular string representations, such as SMILES, often pose challenges for AI-driven molecular design due to their non-sequential depiction of molecular substructures. To address this issue, we introduce Sequential Attachment-based Fragment Embedding (SAFE), a novel line notation for chemical structures. SAFE reimagines SMILES strings as an unordered sequence of interconnected fragment blocks while maintaining compatibility with existing SMILES parsers. It streamlines complex generative tasks, including scaffold decoration, fragment linking, polymer generation, and scaffold hopping, while facilitating autoregressive generation for fragment-constrained design, thereby eliminating the need for intricate decoding or graph-based models. We demonstrate the effectiveness of SAFE by training an 87-million-parameter GPT2-like model on a dataset containing 1.1 billion SAFE representations. Through targeted experimentation, we show that our SAFE-GPT model exhibits versatile and robust optimization performance. SAFE opens up new avenues for the rapid exploration of chemical space under various constraints, promising breakthroughs in AI-driven molecular design.  ( 2 min )

Large pretrained language models (LLMs) can be rapidly adapted to a wide variety of tasks via a text-to-text approach, where the instruction and input are fed to the model in natural language. Combined with in-context learning (ICL), this paradigm is impressively flexible and powerful. However, it also burdens users with an overwhelming number of choices, many of them arbitrary. Inspired by markup languages like HTML, we contribute a method of using soft-token tags to compose prompt templates. This approach reduces arbitrary decisions and streamlines the application of ICL. Our method is a form of meta-learning for ICL; it learns these tags in advance during a parameter-efficient fine-tuning ``warm-up'' process. The tags can subsequently be used in templates for ICL on new, unseen tasks without any additional fine-tuning. Our experiments with this approach yield promising initial results, improving LLM performance on important enterprise applications such as few-shot and open-world intent detection, as well as text classification in news and legal domains.  ( 2 min )

We present the first optimal rates for infinite-dimensional vector-valued ridge regression on a continuous scale of norms that interpolate between $L_2$ and the hypothesis space, which we consider as a vector-valued reproducing kernel Hilbert space. These rates allow to treat the misspecified case in which the true regression function is not contained in the hypothesis space. We combine standard assumptions on the capacity of the hypothesis space with a novel tensor product construction of vector-valued interpolation spaces in order to characterize the smoothness of the regression function. Our upper bound not only attains the same rate as real-valued kernel ridge regression, but also removes the assumption that the target regression function is bounded. For the lower bound, we reduce the problem to the scalar setting using a projection argument. We show that these rates are optimal in most cases and independent of the dimension of the output space. We illustrate our results for the special case of vector-valued Sobolev spaces.  ( 2 min )

Bayesian optimization has become a powerful tool for safe online optimization of systems, due to its high sample efficiency and noise robustness. For further speed-up reduced physical models of the system can be incorporated into the optimization to accelerate the process, since the models are able to offer an approximation of the actual system, and sampling from them is significantly cheaper. The similarity between model and reality is represented by additional hyperparameters and learned within the optimization process. Safety is an important criteria for online optimization methods like Bayesian optimization, which has been addressed by recent literature, which provide safety guarantees under the assumption of known hyperparameters. However, in practice this is not applicable. Therefore, we extend the robust Gaussian process uniform error bounds to meet the multi-task setting, which involves the calculation of a confidence region from the hyperparameter posterior distribution utilizing Markov chain Monte Carlo methods. Then, using the robust safety bounds, Bayesian optimization is applied to safely optimize the system while incorporating measurements of the models. Simulations show that the optimization can be significantly accelerated compared to other state-of-the-art safe Bayesian optimization methods depending on the fidelity of the models.  ( 2 min )

A particularly challenging problem in AI safety is providing guarantees on the behavior of high-dimensional autonomous systems. Verification approaches centered around reachability analysis fail to scale, and purely statistical approaches are constrained by the distributional assumptions about the sampling process. Instead, we pose a distributionally robust version of the statistical verification problem for black-box systems, where our performance guarantees hold over a large family of distributions. This paper proposes a novel approach based on a combination of active learning, uncertainty quantification, and neural network verification. A central piece of our approach is an ensemble technique called Imprecise Neural Networks, which provides the uncertainty to guide active learning. The active learning uses an exhaustive neural-network verification tool Sherlock to collect samples. An evaluation on multiple physical simulators in the openAI gym Mujoco environments with reinforcement-learned controllers demonstrates that our approach can provide useful and scalable guarantees for high-dimensional systems.

The popularity of Machine Learning as a Service (MLaaS) has led to increased concerns about Model Stealing Attacks (MSA), which aim to craft a clone model by querying MLaaS. Currently, most research on MSA assumes that MLaaS can provide soft labels and that the attacker has a proxy dataset with a similar distribution. However, this fails to encapsulate the more practical scenario where only hard labels are returned by MLaaS and the data distribution remains elusive. Furthermore, most existing work focuses solely on stealing the model accuracy, neglecting the model robustness, while robustness is essential in security-sensitive scenarios, e.g., face-scan payment. Notably, improving model robustness often necessitates the use of expensive techniques such as adversarial training, thereby further making stealing robustness a more lucrative prospect. In response to these identified gaps, we introduce a novel Data-Free Hard-Label Robustness Stealing (DFHL-RS) attack in this paper, which enables the stealing of both model accuracy and robustness by simply querying hard labels of the target model without the help of any natural data. Comprehensive experiments demonstrate the effectiveness of our method. The clone model achieves a clean accuracy of 77.86% and a robust accuracy of 39.51% against AutoAttack, which are only 4.71% and 8.40% lower than the target model on the CIFAR-10 dataset, significantly exceeding the baselines. Our code is available at: https://github.com/LetheSec/DFHL-RS-Attack.

The Chambolle-Pock algorithm (CPA), also known as the primal-dual hybrid gradient method (PDHG), has surged in popularity in the last decade due to its success in solving convex/monotone structured problems. This work provides convergence results for problems with varying degrees of (non)monotonicity, quantified through a so-called oblique weak Minty condition on the associated primal-dual operator. Our results reveal novel stepsize and relaxation parameter ranges which do not only depend on the norm of the linear mapping, but also on its other singular values. In particular, in nonmonotone settings, in addition to the classical stepsize conditions for CPA, extra bounds on the stepsizes and relaxation parameters are required. On the other hand, in the strongly monotone setting, the relaxation parameter is allowed to exceed the classical upper bound of two. Moreover, sufficient convergence conditions are obtained when the individual operators belong to the recently introduced class of semimonotone operators. Since this class of operators encompasses many traditional operator classes including (hypo)- and co(hypo)monotone operators, this analysis recovers and extends existing results for CPA. Several examples are provided for the aforementioned problem classes to demonstrate and establish tightness of the proposed stepsize ranges.

Many areas of the world are without basic information on the socioeconomic well-being of the residing population due to limitations in existing data collection methods. Overhead images obtained remotely, such as from satellite or aircraft, can help serve as windows into the state of life on the ground and help "fill in the gaps" where community information is sparse, with estimates at smaller geographic scales requiring higher resolution sensors. Concurrent with improved sensor resolutions, recent advancements in machine learning and computer vision have made it possible to quickly extract features from and detect patterns in image data, in the process correlating these features with other information. In this work, we explore how well two approaches, a supervised convolutional neural network and semi-supervised clustering based on bag-of-visual-words, estimate population density, median household income, and educational attainment of individual neighborhoods from publicly available high-resolution imagery of cities throughout the United States. Results and analyses indicate that features extracted from the imagery can accurately estimate the density (R$^2$ up to 0.81) of neighborhoods, with the supervised approach able to explain about half the variation in a population's income and education. In addition to the presented approaches serving as a basis for further geographic generalization, the novel semi-supervised approach provides a foundation for future work seeking to estimate fine-scale information from aerial imagery without the need for label data.

Reinforcement Learning (RL) has achieved remarkable success in safety-critical areas, but it can be weakened by adversarial attacks. Recent studies have introduced "smoothed policies" in order to enhance its robustness. Yet, it is still challenging to establish a provable guarantee to certify the bound of its total reward. Prior methods relied primarily on computing bounds using Lipschitz continuity or calculating the probability of cumulative reward above specific thresholds. However, these techniques are only suited for continuous perturbations on the RL agent's observations and are restricted to perturbations bounded by the $l_2$-norm. To address these limitations, this paper proposes a general black-box certification method capable of directly certifying the cumulative reward of the smoothed policy under various $l_p$-norm bounded perturbations. Furthermore, we extend our methodology to certify perturbations on action spaces. Our approach leverages f-divergence to measure the distinction between the original distribution and the perturbed distribution, subsequently determining the certification bound by solving a convex optimisation problem. We provide a comprehensive theoretical analysis and run sufficient experiments in multiple environments. Our results show that our method not only improves the certified lower bound of mean cumulative reward but also demonstrates better efficiency than state-of-the-art techniques.

Image registration has traditionally been done using two distinct approaches: learning based methods, relying on robust deep neural networks, and optimization-based methods, applying complex mathematical transformations to warp images accordingly. Of course, both paradigms offer advantages and disadvantages, and, in this work, we seek to combine their respective strengths into a single streamlined framework, using the outputs of the learning based method as initial parameters for optimization while prioritizing computational power for the image pairs that offer the greatest loss. Our investigations showed that an improvement of 1.5% in testing when utilizing the best performing state-of-the-art model as the backbone of the framework, while maintaining the same inference time and a substantial 0.94% points performance gain in deformation field smoothness.

In this paper, we study a fundamental problem in submodular optimization, which is called sequential submodular maximization. Specifically, we aim to select and rank a group of $k$ items from a ground set $V$ such that the weighted summation of $k$ (possibly non-monotone) submodular functions $f_1, \cdots ,f_k: 2^V \rightarrow \mathbb{R}^+$ is maximized, here each function $f_j$ takes the first $j$ items from this sequence as input. The existing research on sequential submodular maximization has predominantly concentrated on the monotone setting, assuming that the submodular functions are non-decreasing. However, in various real-world scenarios, like diversity-aware recommendation systems, adding items to an existing set might negatively impact the overall utility. In response, this paper pioneers the examination of the aforementioned problem with non-monotone submodular functions and offers effective solutions for both flexible and fixed length constraints, as well as a special case with identical utility functions. The empirical evaluations further validate the effectiveness of our proposed algorithms in the domain of video recommendations. The results of this research have implications in various fields, including recommendation systems and assortment optimization, where the ordering of items significantly impacts the overall value obtained.

Accurate and controllable image editing is a challenging task that has attracted significant attention recently. Notably, DragGAN is an interactive point-based image editing framework that achieves impressive editing results with pixel-level precision. However, due to its reliance on generative adversarial networks (GANs), its generality is limited by the capacity of pretrained GAN models. In this work, we extend this editing framework to diffusion models and propose a novel approach DragDiffusion. By harnessing large-scale pretrained diffusion models, we greatly enhance the applicability of interactive point-based editing on both real and diffusion-generated images. Our approach involves optimizing the diffusion latents to achieve precise spatial control. The supervision signal of this optimization process is from the diffusion model's UNet features, which are known to contain rich semantic and geometric information. Moreover, we introduce two additional techniques, namely LoRA fine-tuning and latent-MasaCtrl, to further preserve the identity of the original image. Lastly, we present a challenging benchmark dataset called DragBench -- the first benchmark to evaluate the performance of interactive point-based image editing methods. Experiments across a wide range of challenging cases (e.g., images with multiple objects, diverse object categories, various styles, etc.) demonstrate the versatility and generality of DragDiffusion. Code: https://github.com/Yujun-Shi/DragDiffusion.

Transformers with linear attention allow for efficient parallel training but can simultaneously be formulated as an RNN with 2D (matrix-valued) hidden states, thus enjoying linear (with respect to output length) inference complexity. Recent works such as RetNet (Sun et al., 2023) and TransNormerLLM (Qin et al., 2023a) observe that adding a global decay term to the additive RNN update rule greatly improves performance, sometimes outperforming standard Transformers with softmax attention when trained at scale. In this work we show that adding a data-dependent gating mechanism further improves performance. We derive a parallel form of this gated linear attention layer that enables efficient training. However, a straightforward, numerically stable implementation of this parallel form requires generalized matrix multiplications in log-space for numerical stability, and thus cannot take advantage of tensor cores on modern GPUs which are optimized for standard matrix multiplications. We develop a hardware-efficient version of the parallel form that can still make use of tensor cores through block-parallel computations over sequence chunks. Experiments on moderate-scale language modeling (340M-parameter models trained on 15B tokens, 1.3B-parameter models trained on 100B tokens) show that gated linear attention (GLA) Transformers perform competitively against a strong LLaMA-architecture Transformer baseline (Touvron et al., 2023) as well as Mamba (Gu & Dao, 2023), a recently introduced state-space model with a data-dependent state transition mechanism. For training speed, our Triton-based implementation performs comparably to CUDA-optimized FlashAttention-2 (Dao, 2023) under the regular 2048 training length setting, while outperforming FlashAttention-2 when training on longer sequences beyond 4096.

Self-Supervised Learning (SSL) is a paradigm that leverages unlabeled data for model training. Empirical studies show that SSL can achieve promising performance in distribution shift scenarios, where the downstream and training distributions differ. However, the theoretical understanding of its transferability remains limited. In this paper, we develop a theoretical framework to analyze the transferability of self-supervised contrastive learning, by investigating the impact of data augmentation on it. Our results reveal that the downstream performance of contrastive learning depends largely on the choice of data augmentation. Moreover, we show that contrastive learning fails to learn domain-invariant features, which limits its transferability. Based on these theoretical insights, we propose a novel method called Augmentation-robust Contrastive Learning (ArCL), which guarantees to learn domain-invariant features and can be easily integrated with existing contrastive learning algorithms. We conduct experiments on several datasets and show that ArCL significantly improves the transferability of contrastive learning.  ( 2 min )

Leveraging network information for predictive modeling has become widespread in many domains. Within the realm of referral and targeted marketing, influencer detection stands out as an area that could greatly benefit from the incorporation of dynamic network representation due to the ongoing development of customer-brand relationships. To elaborate this idea, we introduce INFLECT-DGNN, a new framework for INFLuencer prEdiCTion with Dynamic Graph Neural Networks that combines Graph Neural Networks (GNN) and Recurrent Neural Networks (RNN) with weighted loss functions, the Synthetic Minority Oversampling TEchnique (SMOTE) adapted for graph data, and a carefully crafted rolling-window strategy. To evaluate predictive performance, we utilize a unique corporate data set with networks of three cities and derive a profit-driven evaluation methodology for influencer prediction. Our results show how using RNN to encode temporal attributes alongside GNNs significantly improves predictive performance. We compare the results of various models to demonstrate the importance of capturing graph representation, temporal dependencies, and using a profit-driven methodology for evaluation.  ( 2 min )

Representational transfer from publicly available models is a promising technique for improving medical image classification, especially in long-tailed datasets with rare diseases. However, existing methods often overlook the frequency-dependent behavior of these models, thereby limiting their effectiveness in transferring representations and generalizations to rare diseases. In this paper, we propose FoPro-KD, a novel framework that leverages the power of frequency patterns learned from frozen pre-trained models to enhance their transferability and compression, presenting a few unique insights: 1) We demonstrate that leveraging representations from publicly available pre-trained models can substantially improve performance, specifically for rare classes, even when utilizing representations from a smaller pre-trained model. 2) We observe that pre-trained models exhibit frequency preferences, which we explore using our proposed Fourier Prompt Generator (FPG), allowing us to manipulate specific frequencies in the input image, enhancing the discriminative representational transfer. 3) By amplifying or diminishing these frequencies in the input image, we enable Effective Knowledge Distillation (EKD). EKD facilitates the transfer of knowledge from pre-trained models to smaller models. Through extensive experiments in long-tailed gastrointestinal image recognition and skin lesion classification, where rare diseases are prevalent, our FoPro-KD framework outperforms existing methods, enabling more accessible medical models for rare disease classification. Code is available at https://github.com/xmed-lab/FoPro-KD.

Removal or cancellation of noise has wide-spread applications for imaging and acoustics. In every-day-life applications, denoising may even include generative aspects, which are unfaithful to the ground truth. For scientific use, however, denoising must reproduce the ground truth accurately. Here, we show how data can be denoised via a deep convolutional neural network such that weak signals appear with quantitative accuracy. In particular, we study X-ray diffraction on crystalline materials. We demonstrate that weak signals stemming from charge ordering, insignificant in the noisy data, become visible and accurate in the denoised data. This success is enabled by supervised training of a deep neural network with pairs of measured low- and high-noise data. We demonstrate that using artificial noise does not yield such quantitatively accurate results. Our approach thus illustrates a practical strategy for noise filtering that can be applied to challenging acquisition problems.

Estimating the ratio of two probability densities from finitely many observations of the densities is a central problem in machine learning and statistics with applications in two-sample testing, divergence estimation, generative modeling, covariate shift adaptation, conditional density estimation, and novelty detection. In this work, we analyze a large class of density ratio estimation methods that minimize a regularized Bregman divergence between the true density ratio and a model in a reproducing kernel Hilbert space (RKHS). We derive new finite-sample error bounds, and we propose a Lepskii type parameter choice principle that minimizes the bounds without knowledge of the regularity of the density ratio. In the special case of quadratic loss, our method adaptively achieves a minimax optimal error rate. A numerical illustration is provided.

Counterfactual explanations shed light on the decisions of black-box models by explaining how an input can be altered to obtain a favourable decision from the model (e.g., when a loan application has been rejected). However, as noted recently, counterfactual explainers may lack robustness in the sense that a minor change in the input can cause a major change in the explanation. This can cause confusion on the user side and open the door for adversarial attacks. In this paper, we study some sources of non-robustness. While there are fundamental reasons for why an explainer that returns a single counterfactual cannot be robust in all instances, we show that some interesting robustness guarantees can be given by reporting multiple rather than a single counterfactual. Unfortunately, the number of counterfactuals that need to be reported for the theoretical guarantees to hold can be prohibitively large. We therefore propose an approximation algorithm that uses a diversity criterion to select a feasible number of most relevant explanations and study its robustness empirically. Our experiments indicate that our method improves the state-of-the-art in generating robust explanations, while maintaining other desirable properties and providing competitive computational performance.

This paper presents an approach, Spectral Dynamics Embedding Control (SDEC), to optimal control for nonlinear stochastic systems. This method leverages an infinite-dimensional feature to linearly represent the state-action value function and exploits finite-dimensional truncation approximation for practical implementation. To characterize the effectiveness of these finite dimensional approximations, we provide an in-depth theoretical analysis to characterize the approximation error induced by the finite-dimension truncation and statistical error induced by finite-sample approximation in both policy evaluation and policy optimization. Our analysis includes two prominent kernel approximation methods: truncations onto random features and Nystrom features. We also empirically test the algorithm and compare the performance with Koopman-based, iLQR, and energy-based methods on a few benchmark problems.

As the size of the datasets getting larger, accurately annotating such datasets is becoming more impractical due to the expensiveness on both time and economy. Therefore, crowd-sourcing has been widely adopted to alleviate the cost of collecting labels, which also inevitably introduces label noise and eventually degrades the performance of the model. To learn from crowd-sourcing annotations, modeling the expertise of each annotator is a common but challenging paradigm, because the annotations collected by crowd-sourcing are usually highly-sparse. To alleviate this problem, we propose Coupled Confusion Correction (CCC), where two models are simultaneously trained to correct the confusion matrices learned by each other. Via bi-level optimization, the confusion matrices learned by one model can be corrected by the distilled data from the other. Moreover, we cluster the ``annotator groups'' who share similar expertise so that their confusion matrices could be corrected together. In this way, the expertise of the annotators, especially of those who provide seldom labels, could be better captured. Remarkably, we point out that the annotation sparsity not only means the average number of labels is low, but also there are always some annotators who provide very few labels, which is neglected by previous works when constructing synthetic crowd-sourcing annotations. Based on that, we propose to use Beta distribution to control the generation of the crowd-sourcing labels so that the synthetic annotations could be more consistent with the real-world ones. Extensive experiments are conducted on two types of synthetic datasets and three real-world datasets, the results of which demonstrate that CCC significantly outperforms state-of-the-art approaches.

Simulating turbulence is critical for many societally important applications in aerospace engineering, environmental science, the energy industry, and biomedicine. Large eddy simulation (LES) has been widely used as an alternative to direct numerical simulation (DNS) for simulating turbulent flows due to its reduced computational cost. However, LES is unable to capture all of the scales of turbulent transport accurately. Reconstructing DNS from low-resolution LES is critical for many scientific and engineering disciplines, but it poses many challenges to existing super-resolution methods due to the spatio-temporal complexity of turbulent flows. In this work, we propose a new physics-guided neural network for reconstructing the sequential DNS from low-resolution LES data. The proposed method leverages the partial differential equation that underlies the flow dynamics in the design of spatio-temporal model architecture. A degradation-based refinement method is also developed to enforce physical constraints and further reduce the accumulated reconstruction errors over long periods. The results on two different types of turbulent flow data confirm the superiority of the proposed method in reconstructing the high-resolution DNS data and preserving the physical characteristics of flow transport.

We characterize the equilibrium properties of a model of $y$ coupled binary perceptrons in the teacher-student scenario, subject to a learning rule, with an explicit ferromagnetic coupling proportional to the Hamming distance between the students' weights. In contrast to recent works, we analyze a more general setting in which thermal noise is present that affects each student's generalization performance. In the nonzero temperature regime, we find that the coupling of replicas produces a bend of the phase diagram towards smaller values of $\alpha$: This suggests that the free energy landscape gets smoother around the solution with perfect generalization (i.e., the teacher's) at a fixed fraction of examples, allowing standard thermal updates such as Simulated Annealing to easily reach the teacher solution and avoid entrapment in metastable states as it happens in the unreplicated case, even in the so-called computationally easy regime. These results provide additional analytic and numerical evidence for the recently conjectured Bayes-optimal property of Replicated Simulated Annealing (RSA) for a sufficient number of replicas. From a learning perspective, these results also suggest that multiple students working together (in this case reviewing the same data) are able to learn the same rule both significantly faster and with fewer examples, a property that could be exploited in the context of cooperative and federated learning.

In cosmology, the quest for primordial $B$-modes in cosmic microwave background (CMB) observations has highlighted the critical need for a refined model of the Galactic dust foreground. We investigate diffusion-based modeling of the dust foreground and its interest for component separation. Under the assumption of a Gaussian CMB with known cosmology (or covariance matrix), we show that diffusion models can be trained on examples of dust emission maps such that their sampling process directly coincides with posterior sampling in the context of component separation. We illustrate this on simulated mixtures of dust emission and CMB. We show that common summary statistics (power spectrum, Minkowski functionals) of the components are well recovered by this process. We also introduce a model conditioned by the CMB cosmology that outperforms models trained using a single cosmology on component separation. Such a model will be used in future work for diffusion-based cosmological inference.

A crucial problem in reinforcement learning is learning the optimal policy. We study this in tabular infinite-horizon discounted Markov decision processes under the online setting. The existing algorithms either fail to achieve regret optimality or have to incur a high memory and computational cost. In addition, existing optimal algorithms all require a long burn-in time in order to achieve optimal sample efficiency, i.e., their optimality is not guaranteed unless sample size surpasses a high threshold. We address both open problems by introducing a model-free algorithm that employs variance reduction and a novel technique that switches the execution policy in a slow-yet-adaptive manner. This is the first regret-optimal model-free algorithm in the discounted setting, with the additional benefit of a low burn-in time.

The problem of learning a computational model from examples has been receiving growing attention. For the particularly challenging problem of learning models of distributed systems, existing results are restricted to models with a fixed number of interacting processes. In this work we look for the first time (to the best of our knowledge) at the problem of learning a distributed system with an arbitrary number of processes, assuming only that there exists a cutoff, i.e., a number of processes that is sufficient to produce all observable behaviors. Specifically, we consider fine broadcast protocols, these are broadcast protocols (BPs) with a finite cutoff and no hidden states. We provide a learning algorithm that can infer a correct BP from a sample that is consistent with a fine BP, and a minimal equivalent BP if the sample is sufficiently complete. On the negative side we show that (a) characteristic sets of exponential size are unavoidable, (b) the consistency problem for fine BPs is NP hard, and (c) that fine BPs are not polynomially predictable.

In the context of safe exploration, Reinforcement Learning (RL) has long grappled with the challenges of balancing the tradeoff between maximizing rewards and minimizing safety violations, particularly in complex environments with contact-rich or non-smooth dynamics, and when dealing with high-dimensional pixel observations. Furthermore, incorporating state-wise safety constraints in the exploration and learning process, where the agent must avoid unsafe regions without prior knowledge, adds another layer of complexity. In this paper, we propose a novel pixel-observation safe RL algorithm that efficiently encodes state-wise safety constraints with unknown hazard regions through a newly introduced latent barrier-like function learning mechanism. As a joint learning framework, our approach begins by constructing a latent dynamics model with low-dimensional latent spaces derived from pixel observations. We then build and learn a latent barrier-like function on top of the latent dynamics and conduct policy optimization simultaneously, thereby improving both safety and the total expected return. Experimental evaluations on the safety-gym benchmark suite demonstrate that our proposed method significantly reduces safety violations throughout the training process, and demonstrates faster safety convergence compared to existing methods while achieving competitive results in reward return.

Imitation learning aims to solve the problem of defining reward functions in real-world decision-making tasks. The current popular approach is the Adversarial Imitation Learning (AIL) framework, which matches expert state-action occupancy measures to obtain a surrogate reward for forward reinforcement learning. However, the traditional discriminator is a simple binary classifier and doesn't learn an accurate distribution, which may result in failing to identify expert-level state-action pairs induced by the policy interacting with the environment. To address this issue, we propose a method named diffusion adversarial imitation learning (DiffAIL), which introduces the diffusion model into the AIL framework. Specifically, DiffAIL models the state-action pairs as unconditional diffusion models and uses diffusion loss as part of the discriminator's learning objective, which enables the discriminator to capture better expert demonstrations and improve generalization. Experimentally, the results show that our method achieves state-of-the-art performance and significantly surpasses expert demonstration on two benchmark tasks, including the standard state-action setting and state-only settings. Our code can be available at the link https://github.com/ML-Group-SDU/DiffAIL.

Conformal prediction is a statistical tool for producing prediction regions for machine learning models that are valid with high probability. A key component of conformal prediction algorithms is a non-conformity score function that quantifies how different a model's prediction is from the unknown ground truth value. Essentially, these functions determine the shape and the size of the conformal prediction regions. However, little work has gone into finding non-conformity score functions that produce prediction regions that are multi-modal and practical, i.e., that can efficiently be used in engineering applications. We propose a method that optimizes parameterized shape template functions over calibration data, which results in non-conformity score functions that produce prediction regions with minimum volume. Our approach results in prediction regions that are multi-modal, so they can properly capture residuals of distributions that have multiple modes, and practical, so each region is convex and can be easily incorporated into downstream tasks, such as a motion planner using conformal prediction regions. Our method applies to general supervised learning tasks, while we illustrate its use in time-series prediction. We provide a toolbox and present illustrative case studies of F16 fighter jets and autonomous vehicles, showing an up to $68\%$ reduction in prediction region area.

Current datasets for unwanted social bias auditing are limited to studying protected demographic features such as race and gender. In this work, we introduce a comprehensive benchmark that is meant to capture the amplification of social bias, via stigmas, in generative language models. We start with a comprehensive list of 93 stigmas documented in social science literature and curate a question-answering (QA) dataset which involves simple social situations. Our benchmark, SocialStigmaQA, contains roughly 10K prompts, with a variety of prompt styles, carefully constructed to systematically test for both social bias and model robustness. We present results for SocialStigmaQA with two widely used open source generative language models and we demonstrate that the output generated by these models considerably amplifies existing social bias against stigmatized groups. Specifically, we find that the proportion of socially biased output ranges from 45% to 59% across a variety of decoding strategies and prompting styles. We discover that the deliberate design of the templates in our benchmark (e.g., by adding biasing text to the prompt or varying the answer that indicates bias) impact the model tendencies to generate socially biased output. Additionally, we report on patterns in the generated chain-of-thought output, finding a variety of problems from subtle bias to evidence of a lack of reasoning. Warning: This paper contains examples of text which is toxic, biased, and harmful.

Temporal Knowledge Graph (TKG) representation learning embeds entities and event types into a continuous low-dimensional vector space by integrating the temporal information, which is essential for downstream tasks, e.g., event prediction and question answering. Existing methods stack multiple graph convolution layers to model the influence of distant entities, leading to the over-smoothing problem. To alleviate the problem, recent studies infuse reinforcement learning to obtain paths that contribute to modeling the influence of distant entities. However, due to the limited number of hops, these studies fail to capture the correlation between entities that are far apart and even unreachable. To this end, we propose GTRL, an entity Group-aware Temporal knowledge graph Representation Learning method. GTRL is the first work that incorporates the entity group modeling to capture the correlation between entities by stacking only a finite number of layers. Specifically, the entity group mapper is proposed to generate entity groups from entities in a learning way. Based on entity groups, the implicit correlation encoder is introduced to capture implicit correlations between any pairwise entity groups. In addition, the hierarchical GCNs are exploited to accomplish the message aggregation and representation updating on the entity group graph and the entity graph. Finally, GRUs are employed to capture the temporal dependency in TKGs. Extensive experiments on three real-world datasets demonstrate that GTRL achieves the state-of-the-art performances on the event prediction task, outperforming the best baseline by an average of 13.44%, 9.65%, 12.15%, and 15.12% in MRR, Hits@1, Hits@3, and Hits@10, respectively.

Accurate simulation of granular flow dynamics is crucial for assessing various geotechnical risks, including landslides and debris flows. Granular flows involve a dynamic rearrangement of particles exhibiting complex transitions from solid-like to fluid-like responses. Traditional continuum and discrete numerical methods are limited by their computational cost in simulating large-scale systems. Statistical or machine learning-based models offer an alternative. Still, they are largely empirical, based on a limited set of parameters. Due to their permutation-dependent learning, traditional machine learning-based models require huge training data to generalize. To resolve these problems, we use a graph neural network, a state-of-the-art machine learning architecture that learns local interactions. Graphs represent the state of dynamically changing granular flows and the interaction laws, such as energy and momentum exchange between grains. We develop a graph neural network-based simulator (GNS) that takes the current state of granular flow and predicts the next state using Euler explicit integration by learning the local interaction laws. We train GNS on different granular trajectories. We then assess the performance of GNS by predicting granular column collapse. GNS accurately predicts flow dynamics for column collapses with different aspect ratios unseen during training. GNS is hundreds of times faster than high-fidelity numerical simulators. The model also generalizes to domains much larger than the training data, handling more than twice the number of particles than it was trained on.

The South Australia region of the Australian National Electricity Market (NEM) displays some of the highest levels of price volatility observed in modern electricity markets. This paper outlines an approach to probabilistic forecasting under these extreme conditions, including spike filtration and several post-processing steps. We propose using quantile regression as an ensemble tool for probabilistic forecasting, with our combined forecasts achieving superior results compared to all constituent models. Within our ensemble framework, we demonstrate that averaging models with varying training length periods leads to a more adaptive model and increased prediction accuracy. The applicability of the final model is evaluated by comparing our median forecasts with the point forecasts available from the Australian NEM operator, with our model outperforming these NEM forecasts by a significant margin.

Training Large Language Models (LLMs) incurs significant cost; hence, any strategy that accelerates model convergence is helpful. In this paper, we investigate the ability of a simple idea checkpoint averaging along the trajectory of a training run to improve both convergence and generalization quite early on during training. Here we show that models trained with high learning rates observe higher gains due to checkpoint averaging. Furthermore, these gains are amplified when checkpoints are sampled with considerable spacing in training steps. Our training recipe outperforms conventional training and popular checkpoint averaging baselines such as exponential moving average (EMA) and stochastic moving average (SWA). We evaluate our training recipe by pre-training LLMs, where high learning rates are inherently preferred due to extremely large batch sizes. Specifically, we pre-trained nanoGPT-2 models of varying sizes, small (125M), medium (335M), and large (770M)on the OpenWebText dataset, comprised of 9B tokens. Additionally, we present results for publicly available Pythia LLMs, ranging from 1B to 12B, which were trained on the PILE-deduped dataset containing 207B tokens.

We introduce the use of harmonic analysis to decompose the state space of symmetric robotic systems into orthogonal isotypic subspaces. These are lower-dimensional spaces that capture distinct, symmetric, and synergistic motions. For linear dynamics, we characterize how this decomposition leads to a subdivision of the dynamics into independent linear systems on each subspace, a property we term dynamics harmonic analysis (DHA). To exploit this property, we use Koopman operator theory to propose an equivariant deep-learning architecture that leverages the properties of DHA to learn a global linear model of system dynamics. Our architecture, validated on synthetic systems and the dynamics of locomotion of a quadrupedal robot, demonstrates enhanced generalization, sample efficiency, and interpretability, with less trainable parameters and computational costs.

We propose a novel algorithmic framework for distributional reinforcement learning, based on learning finite-dimensional mean embeddings of return distributions. We derive several new algorithms for dynamic programming and temporal-difference learning based on this framework, provide asymptotic convergence theory, and examine the empirical performance of the algorithms on a suite of tabular tasks. Further, we show that this approach can be straightforwardly combined with deep reinforcement learning, and obtain a new deep RL agent that improves over baseline distributional approaches on the Arcade Learning Environment.  ( 2 min )

Large learning rates, when applied to gradient descent for nonconvex optimization, yield various implicit biases including the edge of stability (Cohen et al., 2021), balancing (Wang et al., 2022), and catapult (Lewkowycz et al., 2020). These phenomena cannot be well explained by classical optimization theory. Though significant theoretical progress has been made in understanding these implicit biases, it remains unclear for which objective functions would they be more likely. This paper provides an initial step in answering this question and also shows that these implicit biases are in fact various tips of the same iceberg. To establish these results, we develop a global convergence theory under large learning rates, for a family of nonconvex functions without globally Lipschitz continuous gradient, which was typically assumed in existing convergence analysis. Specifically, these phenomena are more likely to occur when the optimization objective function has good regularity. This regularity, together with gradient descent using a large learning rate that favors flatter regions, results in these nontrivial dynamical behaviors. Another corollary is the first non-asymptotic convergence rate bound for large-learning-rate gradient descent optimization of nonconvex functions. Although our theory only applies to specific functions so far, the possibility of extrapolating it to neural networks is also experimentally validated, for which different choices of loss, activation functions, and other techniques such as batch normalization can all affect regularity significantly and lead to very different training dynamics.

We propose score dynamics, a general framework for learning accelerated evolution operators with large timesteps from molecular-dynamics simulations. SD is centered around scores, or derivatives of the transition log-probability with respect to the dynamical degrees of freedom. The latter play the same role as force fields in MD but are used in denoising diffusion probability models to generate discrete transitions of the dynamical variables in an SD timestep, which can be orders of magnitude larger than a typical MD timestep. In this work, we construct graph neural network based score dynamics models of realistic molecular systems that are evolved with 10 ps timesteps. We demonstrate the efficacy of score dynamics with case studies of alanine dipeptide and short alkanes in aqueous solution. Both equilibrium predictions derived from the stationary distributions of the conditional probability and kinetic predictions for the transition rates and transition paths are in good agreement with MD. Our current SD implementation is about two orders of magnitude faster than the MD counterpart for the systems studied in this work. Open challenges and possible future remedies to improve score dynamics are also discussed.

Currently, applying diffusion models in pixel space of high resolution images is difficult. Instead, existing approaches focus on diffusion in lower dimensional spaces (latent diffusion), or have multiple super-resolution levels of generation referred to as cascades. The downside is that these approaches add additional complexity to the diffusion framework. This paper aims to improve denoising diffusion for high resolution images while keeping the model as simple as possible. The paper is centered around the research question: How can one train a standard denoising diffusion models on high resolution images, and still obtain performance comparable to these alternate approaches? The four main findings are: 1) the noise schedule should be adjusted for high resolution images, 2) It is sufficient to scale only a particular part of the architecture, 3) dropout should be added at specific locations in the architecture, and 4) downsampling is an effective strategy to avoid high resolution feature maps. Combining these simple yet effective techniques, we achieve state-of-the-art on image generation among diffusion models without sampling modifiers on ImageNet.

Although In-Context Learning (ICL) brings remarkable performance gains to Large Language Models (LLMs), the improvements remain lower than fine-tuning on downstream tasks. This paper introduces Multi-Modal In-Context Tuning (MMICT), a novel multi-modal fine-tuning paradigm that boosts multi-modal fine-tuning by fully leveraging the promising ICL capability of multi-modal LLMs (MM-LLMs). We propose the Multi-Modal Hub (M-Hub), a unified module that captures various multi-modal features according to different inputs and objectives. Based on M-Hub, MMICT enables MM-LLMs to learn from in-context visual-guided textual features and subsequently generate outputs conditioned on the textual-guided visual features. Moreover, leveraging the flexibility of M-Hub, we design a variety of in-context demonstrations. Extensive experiments on a diverse range of downstream multi-modal tasks demonstrate that MMICT significantly outperforms traditional fine-tuning strategy and the vanilla ICT method that directly takes the concatenation of all information from different modalities as input.

Training large language models (LLMs) is a costly endeavour in terms of time and computational resources. The large amount of training data used during the unsupervised pre-training phase makes it difficult to verify all data and, unfortunately, undesirable data may be ingested during training. Re-training from scratch is impractical and has led to the creation of the 'unlearning' discipline where models are modified to "unlearn" undesirable information without retraining. However, any modification can alter the behaviour of LLMs, especially on key dimensions such as fairness. This is the first work that examines this interplay between unlearning and fairness for LLMs. In particular, we focus on a popular unlearning framework known as SISA [Bourtoule et al., 2021], which creates an ensemble of models trained on disjoint shards. We evaluate the performance-fairness trade-off for SISA, and empirically demsontrate that SISA can indeed reduce fairness in LLMs. To remedy this, we propose post-processing bias mitigation techniques for ensemble models produced by SISA. We adapt the post-processing fairness improvement technique from [Hardt et al., 2016] to design three methods that can handle model ensembles, and prove that one of the methods is an optimal fair predictor for ensemble of models. Through experimental results, we demonstrate the efficacy of our post-processing framework called 'FairSISA'.

Recently, Stitchable Neural Networks (SN-Net) is proposed to stitch some pre-trained networks for quickly building numerous networks with different complexity and performance trade-offs. In this way, the burdens of designing or training the variable-sized networks, which can be used in application scenarios with diverse resource constraints, are alleviated. However, SN-Net still faces a few challenges. 1) Stitching from multiple independently pre-trained anchors introduces high storage resource consumption. 2) SN-Net faces challenges to build smaller models for low resource constraints. 3). SN-Net uses an unlearned initialization method for stitch layers, limiting the final performance. To overcome these challenges, motivated by the recently proposed Learngene framework, we propose a novel method called Learngene Pool. Briefly, Learngene distills the critical knowledge from a large pre-trained model into a small part (termed as learngene) and then expands this small part into a few variable-sized models. In our proposed method, we distill one pretrained large model into multiple small models whose network blocks are used as learngene instances to construct the learngene pool. Since only one large model is used, we do not need to store more large models as SN-Net and after distilling, smaller learngene instances can be created to build small models to satisfy low resource constraints. We also insert learnable transformation matrices between the instances to stitch them into variable-sized models to improve the performance of these models. Exhaustive experiments have been implemented and the results validate the effectiveness of the proposed Learngene Pool compared with SN-Net.

We address the consistency of a kernel ridge regression estimate of the conditional mean embedding (CME), which is an embedding of the conditional distribution of $Y$ given $X$ into a target reproducing kernel Hilbert space $\mathcal{H}_Y$. The CME allows us to take conditional expectations of target RKHS functions, and has been employed in nonparametric causal and Bayesian inference. We address the misspecified setting, where the target CME is in the space of Hilbert-Schmidt operators acting from an input interpolation space between $\mathcal{H}_X$ and $L_2$, to $\mathcal{H}_Y$. This space of operators is shown to be isomorphic to a newly defined vector-valued interpolation space. Using this isomorphism, we derive a novel and adaptive statistical learning rate for the empirical CME estimator under the misspecified setting. Our analysis reveals that our rates match the optimal $O(\log n / n)$ rates without assuming $\mathcal{H}_Y$ to be finite dimensional. We further establish a lower bound on the learning rate, which shows that the obtained upper bound is optimal.

Bayesian optimization is a coherent, ubiquitous approach to decision-making under uncertainty, with applications including multi-arm bandits, active learning, and black-box optimization. Bayesian optimization selects decisions (i.e. objective function queries) with maximal expected utility with respect to the posterior distribution of a Bayesian model, which quantifies reducible, epistemic uncertainty about query outcomes. In practice, subjectively implausible outcomes can occur regularly for two reasons: 1) model misspecification and 2) covariate shift. Conformal prediction is an uncertainty quantification method with coverage guarantees even for misspecified models and a simple mechanism to correct for covariate shift. We propose conformal Bayesian optimization, which directs queries towards regions of search space where the model predictions have guaranteed validity, and investigate its behavior on a suite of black-box optimization tasks and tabular ranking tasks. In many cases we find that query coverage can be significantly improved without harming sample-efficiency.

A mobile ad hoc network (MANET) is a set of autonomous mobile devices connected by wireless links in a distributed manner and without a fixed infrastructure. Real-time multimedia services, such as video-streaming over MANETs, offers very promising applications, e.g. two members of a group of tourists who want to share a video transmitted through the MANET they form; a video-streaming service deployed over a MANET where users watch a film; among other examples. On the other hand, social web technologies, where people actively interact online with others through social networks, are leading to a socialization of networks. Information of interaction among users is being used to provide socially-enhanced software. To achieve this, we need to know the strength of the relationship between a given user and each user they interact with. This strength of the relationship can be measured through a concept called tie strength (TS), first introduced by Mark Granovetter in 1973. In this article, we modify our previous proposal named multipath multimedia dynamic source routing (MMDSR) protocol to include a social metric TS in the decisions taken by the forwarding algorithm. We find a trade-off between the quality of service (QoS) and the trust level between users who form the forwarding path in the MANET. Our goal is to increase the trust metric while the QoS is not affected significantly.

A variety of Neural Radiance Fields (NeRF) methods have recently achieved remarkable success in high render speed. However, current accelerating methods are specialized and incompatible with various implicit methods, preventing real-time composition over various types of NeRF works. Because NeRF relies on sampling along rays, it is possible to provide general guidance for acceleration. To that end, we propose a general implicit pipeline for composing NeRF objects quickly. Our method enables the casting of dynamic shadows within or between objects using analytical light sources while allowing multiple NeRF objects to be seamlessly placed and rendered together with any arbitrary rigid transformations. Mainly, our work introduces a new surface representation known as Neural Depth Fields (NeDF) that quickly determines the spatial relationship between objects by allowing direct intersection computation between rays and implicit surfaces. It leverages an intersection neural network to query NeRF for acceleration instead of depending on an explicit spatial structure.Our proposed method is the first to enable both the progressive and interactive composition of NeRF objects. Additionally, it also serves as a previewing plugin for a range of existing NeRF works.

This work investigates efficient score-based black-box adversarial attacks with a high Attack Success Rate (ASR) and good generalizability. We design a novel attack method based on a Disentangled Feature space, called DifAttack, which differs significantly from the existing ones operating over the entire feature space. Specifically, DifAttack firstly disentangles an image's latent feature into an adversarial feature and a visual feature, where the former dominates the adversarial capability of an image, while the latter largely determines its visual appearance. We train an autoencoder for the disentanglement by using pairs of clean images and their Adversarial Examples (AEs) generated from available surrogate models via white-box attack methods. Eventually, DifAttack iteratively optimizes the adversarial feature according to the query feedback from the victim model until a successful AE is generated, while keeping the visual feature unaltered. In addition, due to the avoidance of using surrogate models' gradient information when optimizing AEs for black-box models, our proposed DifAttack inherently possesses better attack capability in the open-set scenario, where the training dataset of the victim model is unknown. Extensive experimental results demonstrate that our method achieves significant improvements in ASR and query efficiency simultaneously, especially in the targeted attack and open-set scenarios. The code will be available at https://github.com/csjunjun/DifAttack.git soon.

Navigating the complex landscape of single-cell transcriptomic data presents significant challenges. Central to this challenge is the identification of a meaningful representation of high-dimensional gene expression patterns that sheds light on the structural and functional properties of cell types. Pursuing model interpretability and computational simplicity, we often look for a linear transformation of the original data that aligns with key phenotypic features of cells. In response to this need, we introduce factorized linear discriminant analysis (FLDA), a novel method for linear dimensionality reduction. The crux of FLDA lies in identifying a linear function of gene expression levels that is highly correlated with one phenotypic feature while minimizing the influence of others. To augment this method, we integrate it with a sparsity-based regularization algorithm. This integration is crucial as it selects a subset of genes pivotal to a specific phenotypic feature or a combination thereof. To illustrate the effectiveness of FLDA, we apply it to transcriptomic datasets from neurons in the Drosophila optic lobe. We demonstrate that FLDA not only captures the inherent structural patterns aligned with phenotypic features but also uncovers key genes associated with each phenotype.

Foundation models, such as Large Language Models (LLMs), can respond to a wide range of format-free queries without any task-specific data collection or model training, creating various research and application opportunities for the modeling and operation of large-scale power systems. In this paper, we outline how such large foundation model such as GPT-4 are developed, and discuss how they can be leveraged in challenging power and energy system tasks. We first investigate the potential of existing foundation models by validating their performance on four representative tasks across power system domains, including the optimal power flow (OPF), electric vehicle (EV) scheduling, knowledge retrieval for power engineering technical reports, and situation awareness. Our results indicate strong capabilities of such foundation models on boosting the efficiency and reliability of power system operational pipelines. We also provide suggestions and projections on future deployment of foundation models in power system applications.

Dexterity is often seen as a cornerstone of complex manipulation. Humans are able to perform a host of skills with their hands, from making food to operating tools. In this paper, we investigate these challenges, especially in the case of soft, deformable objects as well as complex, relatively long-horizon tasks. However, learning such behaviors from scratch can be data inefficient. To circumvent this, we propose a novel approach, DEFT (DExterous Fine-Tuning for Hand Policies), that leverages human-driven priors, which are executed directly in the real world. In order to improve upon these priors, DEFT involves an efficient online optimization procedure. With the integration of human-based learning and online fine-tuning, coupled with a soft robotic hand, DEFT demonstrates success across various tasks, establishing a robust, data-efficient pathway toward general dexterous manipulation. Please see our website at https://dexterous-finetuning.github.io for video results.

As large language models (LLMs) become more powerful and are deployed more autonomously, it will be increasingly important to prevent them from causing harmful outcomes. Researchers have investigated a variety of safety techniques for this purpose, e.g. using models to review the outputs of other models, or red-teaming techniques to surface subtle failure modes. However, researchers have not evaluated whether such techniques still ensure safety if the model is itself intentionally trying to subvert them. In this paper, we develop and evaluate pipelines of safety techniques ("protocols") that are robust to intentional subversion. We investigate a scenario in which we want to solve a sequence of programming problems, using access to a powerful but untrusted model (in our case, GPT-4), access to a less powerful trusted model (in our case, GPT-3.5), and limited access to human contractors who provide high-quality trusted labor. We investigate protocols that aim to never submit solutions containing backdoors, which we operationalize here as logical errors that are not caught by test cases. We investigate a range of protocols and test each against strategies that the untrusted model could use to subvert them. One protocol is what we call trusted editing. This protocol first asks GPT-4 to write code, and then asks GPT-3.5 to rate the suspiciousness of that code. If the code is below some suspiciousness threshold, it is submitted. Otherwise, GPT-3.5 edits the solution to remove parts that seem suspicious and then submits the edited code. Another protocol is untrusted monitoring. This protocol asks GPT-4 to write code, and then asks another instance of GPT-4 whether the code is backdoored, using various techniques to prevent the GPT-4 instances from colluding. These protocols improve substantially on simple baselines.

The Lipschitz bound, a technique from robust statistics, can limit the maximum changes in the output concerning the input, taking into account associated irrelevant biased factors. It is an efficient and provable method for examining the output stability of machine learning models without incurring additional computation costs. Recently, Graph Neural Networks (GNNs), which operate on non-Euclidean data, have gained significant attention. However, no previous research has investigated the GNN Lipschitz bounds to shed light on stabilizing model outputs, especially when working on non-Euclidean data with inherent biases. Given the inherent biases in common graph data used for GNN training, it poses a serious challenge to constraining the GNN output perturbations induced by input biases, thereby safeguarding fairness during training. Recently, despite the Lipschitz constant's use in controlling the stability of Euclideanneural networks, the calculation of the precise Lipschitz constant remains elusive for non-Euclidean neural networks like GNNs, especially within fairness contexts. To narrow this gap, we begin with the general GNNs operating on an attributed graph, and formulate a Lipschitz bound to limit the changes in the output regarding biases associated with the input. Additionally, we theoretically analyze how the Lipschitz constant of a GNN model could constrain the output perturbations induced by biases learned from data for fairness training. We experimentally validate the Lipschitz bound's effectiveness in limiting biases of the model output. Finally, from a training dynamics perspective, we demonstrate why the theoretical Lipschitz bound can effectively guide the GNN training to better trade-off between accuracy and fairness.

The generation of 3D molecules requires simultaneously deciding the categorical features~(atom types) and continuous features~(atom coordinates). Deep generative models, especially Diffusion Models (DMs), have demonstrated effectiveness in generating feature-rich geometries. However, existing DMs typically suffer from unstable probability dynamics with inefficient sampling speed. In this paper, we introduce geometric flow matching, which enjoys the advantages of both equivariant modeling and stabilized probability dynamics. More specifically, we propose a hybrid probability path where the coordinates probability path is regularized by an equivariant optimal transport, and the information between different modalities is aligned. Experimentally, the proposed method could consistently achieve better performance on multiple molecule generation benchmarks with 4.75$\times$ speed up of sampling on average.

In domain adaptation, covariate shift and label shift problems are two distinct and complementary tasks. In covariate shift adaptation where the differences in data distribution arise from variations in feature probabilities, existing approaches naturally address this problem based on \textit{feature probability matching} (\textit{FPM}). However, for label shift adaptation where the differences in data distribution stem solely from variations in class probability, current methods still use FPM on the $d$-dimensional feature space to estimate the class probability ratio on the one-dimensional label space. To address label shift adaptation more naturally and effectively, inspired by a new representation of the source domain's class probability, we propose a new framework called \textit{class probability matching} (\textit{CPM}) which matches two class probability functions on the one-dimensional label space to estimate the class probability ratio, fundamentally different from FPM operating on the $d$-dimensional feature space. Furthermore, by incorporating the kernel logistic regression into the CPM framework to estimate the conditional probability, we propose an algorithm called \textit{class probability matching using kernel methods} (\textit{CPMKM}) for label shift adaptation. From the theoretical perspective, we establish the optimal convergence rates of CPMKM with respect to the cross-entropy loss for multi-class label shift adaptation. From the experimental perspective, comparisons on real datasets demonstrate that CPMKM outperforms existing FPM-based and maximum-likelihood-based algorithms.

Centered around solving the Online Saddle Point problem, this paper introduces the Online Convex-Concave Optimization (OCCO) framework, which involves a sequence of two-player time-varying convex-concave games. We propose the generalized duality gap (Dual-Gap) as the performance metric and establish the parallel relationship between OCCO with Dual-Gap and Online Convex Optimization (OCO) with regret. To demonstrate the natural extension of OCCO from OCO, we develop two algorithms, the implicit online mirror descent-ascent and its optimistic variant. Analysis reveals that their duality gaps share similar expression forms with the corresponding dynamic regrets arising from implicit updates in OCO. Empirical results further substantiate the effectiveness of our algorithms. Simultaneously, we unveil that the dynamic Nash equilibrium regret, which was initially introduced in a recent paper, has inherent defects.

Hypersphere classification is a classical and foundational method that can provide easy-to-process explanations for the classification of real-valued and binary data. However, obtaining an (ideally concise) explanation via hypersphere classification is much more difficult when dealing with binary data than real-valued data. In this paper, we perform the first complexity-theoretic study of the hypersphere classification problem for binary data. We use the fine-grained parameterized complexity paradigm to analyze the impact of structural properties that may be present in the input data as well as potential conciseness constraints. Our results include stronger lower bounds and new fixed-parameter algorithms for hypersphere classification of binary data, which can find an exact and concise explanation when one exists.

Current training of motion style transfer systems relies on consistency losses across style domains to preserve contents, hindering its scalable application to a large number of domains and private data. Recent image transfer works show the potential of independent training on each domain by leveraging implicit bridging between diffusion models, with the content preservation, however, limited to simple data patterns. We address this by imposing biased sampling in backward diffusion while maintaining the domain independence in the training stage. We construct the bias from the source domain keyframes and apply them as the gradient of content constraints, yielding a framework with keyframe manifold constraint gradients (KMCGs). Our validation demonstrates the success of training separate models to transfer between as many as ten dance motion styles. Comprehensive experiments find a significant improvement in preserving motion contents in comparison to baseline and ablative diffusion-based style transfer models. In addition, we perform a human study for a subjective assessment of the quality of generated dance motions. The results validate the competitiveness of KMCGs.

In this work, we formulate a novel framework for adversarial robustness using the manifold hypothesis. This framework provides sufficient conditions for defending against adversarial examples. We develop an adversarial purification method with this framework. Our method combines manifold learning with variational inference to provide adversarial robustness without the need for expensive adversarial training. Experimentally, our approach can provide adversarial robustness even if attackers are aware of the existence of the defense. In addition, our method can also serve as a test-time defense mechanism for variational autoencoders.

This study explores the robustness of label noise classifiers, aiming to enhance model resilience against noisy data in complex real-world scenarios. Label noise in supervised learning, characterized by erroneous or imprecise labels, significantly impairs model performance. This research focuses on the increasingly pertinent issue of label noise's impact on practical applications. Addressing the prevalent challenge of inaccurate training data labels, we integrate adversarial machine learning (AML) and importance reweighting techniques. Our approach involves employing convolutional neural networks (CNN) as the foundational model, with an emphasis on parameter adjustment for individual training samples. This strategy is designed to heighten the model's focus on samples critically influencing performance.

Maximum likelihood estimation (MLE) of latent variable models is often recast as an optimization problem over the extended space of parameters and probability distributions. For example, the Expectation Maximization (EM) algorithm can be interpreted as coordinate descent applied to a suitable free energy functional over this space. Recently, this perspective has been combined with insights from optimal transport and Wasserstein gradient flows to develop particle-based algorithms applicable to wider classes of models than standard EM. Drawing inspiration from prior works which interpret `momentum-enriched' optimisation algorithms as discretizations of ordinary differential equations, we propose an analogous dynamical systems-inspired approach to minimizing the free energy functional over the extended space of parameters and probability distributions. The result is a dynamic system that blends elements of Nesterov's Accelerated Gradient method, the underdamped Langevin diffusion, and particle methods. Under suitable assumptions, we establish quantitative convergence of the proposed system to the unique minimiser of the functional in continuous time. We then propose a numerical discretization of this system which enables its application to parameter estimation in latent variable models. Through numerical experiments, we demonstrate that the resulting algorithm converges faster than existing methods and compares favourably with other (approximate) MLE algorithms.

While Goal-Conditioned Reinforcement Learning (GCRL) has gained attention, its algorithmic robustness, particularly against adversarial perturbations, remains unexplored. Unfortunately, the attacks and robust representation training methods specifically designed for traditional RL are not so effective when applied to GCRL. To address this challenge, we propose the \textit{Semi-Contrastive Representation} attack, a novel approach inspired by the adversarial contrastive attack. Unlike existing attacks in RL, it only necessitates information from the policy function and can be seamlessly implemented during deployment. Furthermore, to mitigate the vulnerability of existing GCRL algorithms, we introduce \textit{Adversarial Representation Tactics}. This strategy combines \textit{Semi-Contrastive Adversarial Augmentation} with \textit{Sensitivity-Aware Regularizer}. It improves the adversarial robustness of the underlying agent against various types of perturbations. Extensive experiments validate the superior performance of our attack and defence mechanism across multiple state-of-the-art GCRL algorithms. Our tool {\bf ReRoGCRL} is available at \url{https://github.com/TrustAI/ReRoGCRL}.

In machine learning, generalization against distribution shifts -- where deployment conditions diverge from the training scenarios -- is crucial, particularly in fields like climate modeling, biomedicine, and autonomous driving. The emergence of foundation models, distinguished by their extensive pretraining and task versatility, has led to an increased interest in their adaptability to distribution shifts. GPT-4V(ision) acts as the most advanced publicly accessible multimodal foundation model, with extensive applications across various domains, including anomaly detection, video understanding, image generation, and medical diagnosis. However, its robustness against data distributions remains largely underexplored. Addressing this gap, this study rigorously evaluates GPT-4V's adaptability and generalization capabilities in dynamic environments, benchmarking against prominent models like CLIP and LLaVA. We delve into GPT-4V's zero-shot generalization across 13 diverse datasets spanning natural, medical, and molecular domains. We further investigate its adaptability to controlled data perturbations and examine the efficacy of in-context learning as a tool to enhance its adaptation. Our findings delineate GPT-4V's capability boundaries in distribution shifts, shedding light on its strengths and limitations across various scenarios. Importantly, this investigation contributes to our understanding of how AI foundation models generalize to distribution shifts, offering pivotal insights into their adaptability and robustness. Code is publicly available at https://github.com/jameszhou-gl/gpt-4v-distribution-shift.

Uplift modeling, also known as individual treatment effect (ITE) estimation, is an important approach for data-driven decision making that aims to identify the causal impact of an intervention on individuals. This paper introduces a new benchmark dataset for uplift modeling focused on churn prediction, coming from a telecom company in Belgium, Orange Belgium. Churn, in this context, refers to customers terminating their subscription to the telecom service. This is the first publicly available dataset offering the possibility to evaluate the efficiency of uplift modeling on the churn prediction problem. Moreover, its unique characteristics make it more challenging than the few other public uplift datasets.

This paper presents a novel approach to advancing artificial intelligence (AI) through the development of the Complex Recurrent Spectral Network ($\mathbb{C}$-RSN), an innovative variant of the Recurrent Spectral Network (RSN) model. The $\mathbb{C}$-RSN is designed to address a critical limitation in existing neural network models: their inability to emulate the complex processes of biological neural networks dynamically and accurately. By integrating key concepts from dynamical systems theory and leveraging principles from statistical mechanics, the $\mathbb{C}$-RSN model introduces localized non-linearity, complex fixed eigenvalues, and a distinct separation of memory and input processing functionalities. These features collectively enable the $\mathbb{C}$-RSN evolving towards a dynamic, oscillating final state that more closely mirrors biological cognition. Central to this work is the exploration of how the $\mathbb{C}$-RSN manages to capture the rhythmic, oscillatory dynamics intrinsic to biological systems, thanks to its complex eigenvalue structure and the innovative segregation of its linear and non-linear components. The model's ability to classify data through a time-dependent function, and the localization of information processing, is demonstrated with an empirical evaluation using the MNIST dataset. Remarkably, distinct items supplied as a sequential input yield patterns in time which bear the indirect imprint of the insertion order (and of the time of separation between contiguous insertions).

Inhomogeneities in real-world data, e.g., due to changes in the observation noise level or variations in the structural complexity of the source function, pose a unique set of challenges for statistical inference. Accounting for them can greatly improve predictive power when physical resources or computation time is limited. In this paper, we draw on recent theoretical results on the estimation of local function complexity (LFC), derived from the domain of local polynomial smoothing (LPS), to establish a notion of local structural complexity, which is used to develop a model-agnostic active learning (AL) framework. Due to its reliance on pointwise estimates, the LPS model class is not robust and scalable concerning large input space dimensions that typically come along with real-world problems. Here, we derive and estimate the Gaussian process regression (GPR)-based analog of the LPS-based LFC and use it as a substitute in the above framework to make it robust and scalable. We assess the effectiveness of our LFC estimate in an AL application on a prototypical low-dimensional synthetic dataset, before taking on the challenging real-world task of reconstructing a quantum chemical force field for a small organic molecule and demonstrating state-of-the-art performance with a significantly reduced training demand.

Graph Contrastive Learning (GCL) is unsupervised graph representation learning that can obtain useful representation of unknown nodes. The node representation can be utilized as features of downstream tasks. However, GCL is vulnerable to poisoning attacks as with existing learning models. A state-of-the-art defense cannot sufficiently negate adverse effects by poisoned graphs although such a defense introduces adversarial training in the GCL. To achieve further improvement, pruning adversarial edges is important. To the best of our knowledge, the feasibility remains unexplored in the GCL domain. In this paper, we propose a simple defense for GCL, EdgePruner. We focus on the fact that the state-of-the-art poisoning attack on GCL tends to mainly add adversarial edges to create poisoned graphs, which means that pruning edges is important to sanitize the graphs. Thus, EdgePruner prunes edges that contribute to minimizing the contrastive loss based on the node representation obtained after training on poisoned graphs by GCL. Furthermore, we focus on the fact that nodes with distinct features are connected by adversarial edges in poisoned graphs. Thus, we introduce feature similarity between neighboring nodes to help more appropriately determine adversarial edges. This similarity is helpful in further eliminating adverse effects from poisoned graphs on various datasets. Finally, EdgePruner outputs a graph that yields the minimum contrastive loss as the sanitized graph. Our results demonstrate that pruning adversarial edges is feasible on six datasets. EdgePruner can improve the accuracy of node classification under the attack by up to 5.55% compared with that of the state-of-the-art defense. Moreover, we show that EdgePruner is immune to an adaptive attack.

In many web applications, deep learning-based CTR prediction models (deep CTR models for short) are widely adopted. Traditional deep CTR models learn patterns in a static manner, i.e., the network parameters are the same across all the instances. However, such a manner can hardly characterize each of the instances which may have different underlying distributions. It actually limits the representation power of deep CTR models, leading to sub-optimal results. In this paper, we propose an efficient, effective, and universal module, named as Adaptive Parameter Generation network (APG), which can dynamically generate parameters for deep CTR models on-the-fly based on different instances. Extensive experimental evaluation results show that APG can be applied to a variety of deep CTR models and significantly improve their performance. Meanwhile, APG can reduce the time cost by 38.7\% and memory usage by 96.6\% compared to a regular deep CTR model. We have deployed APG in the industrial sponsored search system and achieved 3\% CTR gain and 1\% RPM gain respectively.

The cybersecurity landscape evolves rapidly and poses threats to organizations. To enhance resilience, one needs to track the latest developments and trends in the domain. It has been demonstrated that standard bibliometrics approaches show their limits in such a fast-evolving domain. For this purpose, we use large language models (LLMs) to extract relevant knowledge entities from cybersecurity-related texts. We use a subset of arXiv preprints on cybersecurity as our data and compare different LLMs in terms of entity recognition (ER) and relevance. The results suggest that LLMs do not produce good knowledge entities that reflect the cybersecurity context, but our results show some potential for noun extractors. For this reason, we developed a noun extractor boosted with some statistical analysis to extract specific and relevant compound nouns from the domain. Later, we tested our model to identify trends in the LLM domain. We observe some limitations, but it offers promising results to monitor the evolution of emergent trends.

The Neural Network (NN), as a black-box function approximator, has been considered in many control and robotics applications. However, difficulties in verifying the overall system safety in the presence of uncertainties hinder the modular deployment of NN in safety-critical systems. In this paper, we leverage the NNs as predictive models for trajectory tracking of unknown dynamical systems. We consider controller design in the presence of both intrinsic uncertainty and uncertainties from other system modules. In this setting, we formulate the constrained trajectory tracking problem and show that it can be solved using Mixed-integer Linear Programming (MILP). The proposed MILP-based solution enjoys a provable safety guarantee for the overall system, and the approach is empirically demonstrated in robot navigation and obstacle avoidance through simulations. The demonstration videos are available at https://xiaolisean.github.io/publication/2023-11-01-L4DC2024.

Variational autoencoders (VAEs) have been used extensively to discover low-dimensional latent factors governing neural activity and animal behavior. However, without careful model selection, the uncovered latent factors may reflect noise in the data rather than true underlying features, rendering such representations unsuitable for scientific interpretation. Existing solutions to this problem involve introducing additional measured variables or data augmentations specific to a particular data type. We propose a VAE architecture that predicts the next point in time and show that it mitigates the learning of spurious features. In addition, we introduce a model selection metric based on smoothness over time in the latent space. We show that together these two constraints on VAEs to be smooth over time produce robust latent representations and faithfully recover latent factors on synthetic datasets.

Widespread use of artificial intelligence (AI) algorithms and machine learning (ML) models on the one hand and a number of crucial issues pertaining to them warrant the need for explainable artificial intelligence (XAI). A key explainability question is: given this decision was made, what are the input features which contributed to the decision? Although a range of XAI approaches exist to tackle this problem, most of them have significant limitations. Heuristic XAI approaches suffer from the lack of quality guarantees, and often try to approximate Shapley values, which is not the same as explaining which features contribute to a decision. A recent alternative is so-called formal feature attribution (FFA), which defines feature importance as the fraction of formal abductive explanations (AXp's) containing the given feature. This measures feature importance from the view of formally reasoning about the model's behavior. It is challenging to compute FFA using its definition because that involves counting AXp's, although one can approximate it. Based on these results, this paper makes several contributions. First, it gives compelling evidence that computing FFA is intractable, even if the set of contrastive formal explanations (CXp's) is provided, by proving that the problem is #P-hard. Second, by using the duality between AXp's and CXp's, it proposes an efficient heuristic to switch from CXp enumeration to AXp enumeration on-the-fly resulting in an adaptive explanation enumeration algorithm effectively approximating FFA in an anytime fashion. Finally, experimental results obtained on a range of widely used datasets demonstrate the effectiveness of the proposed FFA approximation approach in terms of the error of FFA approximation as well as the number of explanations computed and their diversity given a fixed time limit.

Synthetic Aperture Radar SAR Automatic Target Recognition ATR is a key technique of remote-sensing image recognition which can be supported by deep neural networks The existing works of SAR ATR mostly focus on improving the accuracy of the target recognition while ignoring the systems performance in terms of speed and storage which is critical to real-world applications of SAR ATR For decision-makers aiming to identify a proper deep learning model to deploy in a SAR ATR system it is important to understand the performance of different candidate deep learning models and determine the best model accordingly This paper comprehensively benchmarks several advanced deep learning models for SAR ATR with multiple distinct SAR imagery datasets Specifically we train and test five SAR image classifiers based on Residual Neural Networks ResNet18 ResNet34 ResNet50 Graph Neural Network GNN and Vision Transformer for Small-Sized Datasets (SS-ViT) We select three datasets MSTAR GBSAR and SynthWakeSAR that offer heterogeneity We evaluate and compare the five classifiers concerning their classification accuracy runtime performance in terms of inference throughput and analytical performance in terms of number of parameters number of layers model size and number of operations Experimental results show that the GNN classifier outperforms with respect to throughput and latency However it is also shown that no clear model winner emerges from all of our chosen metrics and a one model rules all case is doubtful in the domain of SAR ATR

In the field of federated learning, addressing non-independent and identically distributed (non-i.i.d.) data remains a quintessential challenge for improving global model performance. This work introduces the Feature Norm Regularized Federated Learning (FNR-FL) algorithm, which uniquely incorporates class average feature norms to enhance model accuracy and convergence in non-i.i.d. scenarios. Our comprehensive analysis reveals that FNR-FL not only accelerates convergence but also significantly surpasses other contemporary federated learning algorithms in test accuracy, particularly under feature distribution skew scenarios. The novel modular design of FNR-FL facilitates seamless integration with existing federated learning frameworks, reinforcing its adaptability and potential for widespread application. We substantiate our claims through rigorous empirical evaluations, demonstrating FNR-FL's exceptional performance across various skewed data distributions. Relative to FedAvg, FNR-FL exhibits a substantial 66.24\% improvement in accuracy and a significant 11.40\% reduction in training time, underscoring its enhanced effectiveness and efficiency.

We devise, implement and performance-asses DYAD, a layer which can serve as a faster and more memory-efficient approximate replacement for linear layers, (nn.Linear() in Pytorch). These layers appear in common subcomponents, such as in the ff module of Transformers. DYAD is based on a bespoke near-sparse matrix structure which approximates the dense "weight" matrix W that matrix-multiplies the input in the typical realization of such a layer, a.k.a DENSE. Our alternative near-sparse matrix structure is decomposable to a sum of 2 matrices permutable to a block-sparse counterpart. These can be represented as 3D tensors, which in unison allow a faster execution of matrix multiplication with the mini-batched input matrix X compared to DENSE (O(rows(W ) x cols(W )) --> O( rows(W ) x cols(W ) # of blocks )). As the crux of our experiments, we pretrain both DYAD and DENSE variants of 2 sizes of the OPT arch and 1 size of the Pythia arch, including at different token scales of the babyLM benchmark. We find DYAD to be competitive (>= 90%) of DENSE performance on zero-shot (e.g. BLIMP), few-shot (OPENLM) and finetuning (GLUE) benchmarks, while being >=7-15% faster to train on-GPU even at 125m scale, besides surfacing larger speedups at increasing scale and model width.

The transit method is one of the most relevant exoplanet detection techniques, which consists of detecting periodic eclipses in the light curves of stars. This is not always easy due to the presence of noise in the light curves, which is induced, for example, by the response of a telescope to stellar flux. For this reason, we aimed to develop an artificial neural network model that is able to detect these transits in light curves obtained from different telescopes and surveys. We created artificial light curves with and without transits to try to mimic those expected for the extended mission of the Kepler telescope (K2) in order to train and validate a 1D convolutional neural network model, which was later tested, obtaining an accuracy of 99.02 % and an estimated error (loss function) of 0.03. These results, among others, helped to confirm that the 1D CNN is a good choice for working with non-phased-folded Mandel and Agol light curves with transits. It also reduces the number of light curves that have to be visually inspected to decide if they present transit-like signals and decreases the time needed for analyzing each (with respect to traditional analysis).

This paper introduces a novel approach for learning polynomial representations of physical objects. Given a point cloud data set associated with a physical object, we solve a one-class classification problem to bound the data points by a polynomial sublevel set while harnessing Sum-of-Squares (SOS) programming to enforce prior shape knowledge constraints. By representing objects as polynomial sublevel sets we further show it is possible to construct a secondary SOS program to certify whether objects are packed correctly, that is object boundaries do not overlap and are inside some container set. While not employing reinforcement learning (RL) in this work, our proposed secondary SOS program does provide a potential surrogate reward function for RL algorithms, autonomously rewarding agents that propose object rotations and translations that correctly pack objects within a given container set.

This paper studies sequence modeling for prediction tasks with long range dependencies. We propose a new formulation for state space models based on learning linear dynamical systems with the spectral filtering algorithm [HSZ17]. This gives rise to a novel sequence prediction architecture we call spectral state space models. The resulting models are evaluated on synthetic dynamical systems. These evaluations support the theoretical benefits of spectral filtering for tasks requiring very long range memory.

This study investigates the forecasting accuracy of human experts versus Large Language Models (LLMs) in the retail sector, particularly during standard and promotional sales periods. Utilizing a controlled experimental setup with 123 human forecasters and five LLMs, including ChatGPT4, ChatGPT3.5, Bard, Bing, and Llama2, we evaluated forecasting precision through Mean Absolute Percentage Error. Our analysis centered on the effect of the following factors on forecasters performance: the supporting statistical model (baseline and advanced), whether the product was on promotion, and the nature of external impact. The findings indicate that LLMs do not consistently outperform humans in forecasting accuracy and that advanced statistical forecasting models do not uniformly enhance the performance of either human forecasters or LLMs. Both human and LLM forecasters exhibited increased forecasting errors, particularly during promotional periods and under the influence of positive external impacts. Our findings call for careful consideration when integrating LLMs into practical forecasting processes.

Due to the substantial scale of Large Language Models (LLMs), the direct application of conventional compression methodologies proves impractical. The computational demands associated with even minimal gradient updates present challenges, particularly on consumer-grade hardware. This paper introduces an innovative approach for the parametric and practical compression of LLMs based on reduced order modelling, which entails low-rank decomposition within the feature space and re-parameterization in the weight space. Notably, this compression technique operates in a layer-wise manner, obviating the need for a GPU device and enabling the compression of billion-scale models within stringent constraints of both memory and time. Our method represents a significant advancement in model compression by leveraging matrix decomposition, demonstrating superior efficacy compared to the prevailing state-of-the-art structured pruning method.

Variational autoencoders (VAEs) are one class of generative probabilistic latent-variable models designed for inference based on known data. They balance reconstruction and regularizer terms. A variational approximation produces an evidence lower bound (ELBO). Multiplying the regularizer term by beta provides a beta-VAE/ELBO, improving disentanglement of the latent space. However, any beta value different than unity violates the laws of conditional probability. To provide a similarly-parameterized VAE, we develop a Renyi (versus Shannon) entropy VAE, and a variational approximation RELBO that introduces a similar parameter. The Renyi VAE has an additional Renyi regularizer-like term with a conditional distribution that is not learned. The term is evaluated essentially analytically using a Singular Value Decomposition method.

Transformers are a class of autoregressive deep learning architectures which have recently achieved state-of-the-art performance in various vision, language, and robotics tasks. We revisit the problem of Kalman Filtering in linear dynamical systems and show that Transformers can approximate the Kalman Filter in a strong sense. Specifically, for any observable LTI system we construct an explicit causally-masked Transformer which implements the Kalman Filter, up to a small additive error which is bounded uniformly in time; we call our construction the Transformer Filter. Our construction is based on a two-step reduction. We first show that a softmax self-attention block can exactly represent a certain Gaussian kernel smoothing estimator. We then show that this estimator closely approximates the Kalman Filter. We also investigate how the Transformer Filter can be used for measurement-feedback control and prove that the resulting nonlinear controllers closely approximate the performance of standard optimal control policies such as the LQG controller.

We introduce a method to train vision-language models for remote-sensing images without using any textual annotations. Our key insight is to use co-located internet imagery taken on the ground as an intermediary for connecting remote-sensing images and language. Specifically, we train an image encoder for remote sensing images to align with the image encoder of CLIP using a large amount of paired internet and satellite images. Our unsupervised approach enables the training of a first-of-its-kind large-scale vision language model (VLM) for remote sensing images at two different resolutions. We show that these VLMs enable zero-shot, open-vocabulary image classification, retrieval, segmentation and visual question answering for satellite images. On each of these tasks, our VLM trained without textual annotations outperforms existing VLMs trained with supervision, with gains of up to 20% for classification and 80% for segmentation.

In this paper, we introduce a novel analysis of neural networks based on geometric (Clifford) algebra and convex optimization. We show that optimal weights of deep ReLU neural networks are given by the wedge product of training samples when trained with standard regularized loss. Furthermore, the training problem reduces to convex optimization over wedge product features, which encode the geometric structure of the training dataset. This structure is given in terms of signed volumes of triangles and parallelotopes generated by data vectors. The convex problem finds a small subset of samples via $\ell_1$ regularization to discover only relevant wedge product features. Our analysis provides a novel perspective on the inner workings of deep neural networks and sheds light on the role of the hidden layers.

Climate downscaling is a crucial technique within climate research, serving to project low-resolution (LR) climate data to higher resolutions (HR). Previous research has demonstrated the effectiveness of deep learning for downscaling tasks. However, most deep learning models for climate downscaling may not perform optimally for high scaling factors (i.e., 4x, 8x) due to their limited ability to capture the intricate details required for generating HR climate data. Furthermore, climate data behaves differently from image data, necessitating a nuanced approach when employing deep generative models. In response to these challenges, this paper presents a deep generative model for downscaling climate data, specifically precipitation on a regional scale. We employ a denoising diffusion probabilistic model (DDPM) conditioned on multiple LR climate variables. The proposed model is evaluated using precipitation data from the Community Earth System Model (CESM) v1.2.2 simulation. Our results demonstrate significant improvements over existing baselines, underscoring the effectiveness of the conditional diffusion model in downscaling climate data.

Diffusion models, such as Stable Diffusion (SD), offer the ability to generate high-resolution images with diverse features, but they come at a significant computational and memory cost. In classifier-free guided diffusion models, prolonged inference times are attributed to the necessity of computing two separate diffusion models at each denoising step. Recent work has shown promise in improving inference time through distillation techniques, teaching the model to perform similar denoising steps with reduced computations. However, the application of distillation introduces additional memory overhead to these already resource-intensive diffusion models, making it less practical. To address these challenges, our research explores a novel approach that combines Low-Rank Adaptation (LoRA) with model distillation to efficiently compress diffusion models. This approach not only reduces inference time but also mitigates memory overhead, and notably decreases memory consumption even before applying distillation. The results are remarkable, featuring a significant reduction in inference time due to the distillation process and a substantial 50% reduction in memory consumption. Our examination of the generated images underscores that the incorporation of LoRA-enhanced distillation maintains image quality and alignment with the provided prompts. In summary, while conventional distillation tends to increase memory consumption, LoRA-enhanced distillation offers optimization without any trade-offs or compromises in quality.

Gamma-Phi losses constitute a family of multiclass classification loss functions that generalize the logistic and other common losses, and have found application in the boosting literature. We establish the first general sufficient condition for the classification-calibration (CC) of such losses. To our knowledge, this sufficient condition gives the first family of nonconvex multiclass surrogate losses for which CC has been fully justified. In addition, we show that a previously proposed sufficient condition is in fact not sufficient. This contribution highlights a technical issue that is important in the study of multiclass CC but has been neglected in prior work.

This paper delves into the realm of stochastic optimization for compositional minimax optimization - a pivotal challenge across various machine learning domains, including deep AUC and reinforcement learning policy evaluation. Despite its significance, the problem of compositional minimax optimization is still under-explored. Adding to the complexity, current methods of compositional minimax optimization are plagued by sub-optimal complexities or heavy reliance on sizable batch sizes. To respond to these constraints, this paper introduces a novel method, called Nested STOchastic Recursive Momentum (NSTORM), which can achieve the optimal sample complexity of $O(\kappa^3 /\epsilon^3 )$ to obtain the $\epsilon$-accuracy solution. We also demonstrate that NSTORM can achieve the same sample complexity under the Polyak-\L ojasiewicz (PL)-condition - an insightful extension of its capabilities. Yet, NSTORM encounters an issue with its requirement for low learning rates, potentially constraining its real-world applicability in machine learning. To overcome this hurdle, we present ADAptive NSTORM (ADA-NSTORM) with adaptive learning rates. We demonstrate that ADA-NSTORM can achieve the same sample complexity but the experimental results show its more effectiveness. All the proposed complexities indicate that our proposed methods can match lower bounds to existing minimax optimizations, without requiring a large batch size in each iteration. Extensive experiments support the efficiency of our proposed methods.

Multi-label classification poses challenges due to imbalanced and noisy labels in training data. We propose a unified data augmentation method, named BalanceMix, to address these challenges. Our approach includes two samplers for imbalanced labels, generating minority-augmented instances with high diversity. It also refines multi-labels at the label-wise granularity, categorizing noisy labels as clean, re-labeled, or ambiguous for robust optimization. Extensive experiments on three benchmark datasets demonstrate that BalanceMix outperforms existing state-of-the-art methods. We release the code at https://github.com/DISL-Lab/BalanceMix.

In this paper, we provide novel tail bounds on the optimization error of Stochastic Mirror Descent for convex and Lipschitz objectives. Our analysis extends the existing tail bounds from the classical light-tailed Sub-Gaussian noise case to heavier-tailed noise regimes. We study the optimization error of the last iterate as well as the average of the iterates. We instantiate our results in two important cases: a class of noise with exponential tails and one with polynomial tails. A remarkable feature of our results is that they do not require an upper bound on the diameter of the domain. Finally, we support our theory with illustrative experiments that compare the behavior of the average of the iterates with that of the last iterate in heavy-tailed noise regimes.

Offline reinforcement learning (RL) is a learning paradigm where an agent learns from a fixed dataset of experience. However, learning solely from a static dataset can limit the performance due to the lack of exploration. To overcome it, offline-to-online RL combines offline pre-training with online fine-tuning, which enables the agent to further refine its policy by interacting with the environment in real-time. Despite its benefits, existing offline-to-online RL methods suffer from performance degradation and slow improvement during the online phase. To tackle these challenges, we propose a novel framework called Ensemble-based Offline-to-Online (E2O) RL. By increasing the number of Q-networks, we seamlessly bridge offline pre-training and online fine-tuning without degrading performance. Moreover, to expedite online performance enhancement, we appropriately loosen the pessimism of Q-value estimation and incorporate ensemble-based exploration mechanisms into our framework. Experimental results demonstrate that E2O can substantially improve the training stability, learning efficiency, and final performance of existing offline RL methods during online fine-tuning on a range of locomotion and navigation tasks, significantly outperforming existing offline-to-online RL methods.

This paper introduces an attacking mechanism to challenge the resilience of autonomous driving systems. Specifically, we manipulate the decision-making processes of an autonomous vehicle by dynamically displaying adversarial patches on a screen mounted on another moving vehicle. These patches are optimized to deceive the object detection models into misclassifying targeted objects, e.g., traffic signs. Such manipulation has significant implications for critical multi-vehicle interactions such as intersection crossing and lane changing, which are vital for safe and efficient autonomous driving systems. Particularly, we make four major contributions. First, we introduce a novel adversarial attack approach where the patch is not co-located with its target, enabling more versatile and stealthy attacks. Moreover, our method utilizes dynamic patches displayed on a screen, allowing for adaptive changes and movement, enhancing the flexibility and performance of the attack. To do so, we design a Screen Image Transformation Network (SIT-Net), which simulates environmental effects on the displayed images, narrowing the gap between simulated and real-world scenarios. Further, we integrate a positional loss term into the adversarial training process to increase the success rate of the dynamic attack. Finally, we shift the focus from merely attacking perceptual systems to influencing the decision-making algorithms of self-driving systems. Our experiments demonstrate the first successful implementation of such dynamic adversarial attacks in real-world autonomous driving scenarios, paving the way for advancements in the field of robust and secure autonomous driving.

Accurate intraday forecasts of the power output by PhotoVoltaic (PV) systems are critical to improve the operation of energy distribution grids. We describe a neural autoregressive model which aims at performing such intraday forecasts. We build upon a physical, deterministic PV performance model, the output of which being used as covariates in the context of the neural model. In addition, our application data relates to a geographically distributed set of PV systems. We address all PV sites with a single neural model, which embeds the information about the PV site in specific covariates. We use a scale-free approach which does rely on explicit modelling of seasonal effects. Our proposal repurposes a model initially used in the retail sector, and discloses a novel truncated Gaussian output distribution. An ablation study and a comparison to alternative architectures from the literature shows that the components in the best performing proposed model variant work synergistically to reach a skill score of 15.72% with respect to the physical model, used as a baseline.

The advent of artificial intelligence, especially the progress of deep neural networks, is expected to revolutionize genetic research and offer unprecedented potential to decode the complex relationships between genetic variants and disease phenotypes, which could mark a significant step toward improving our understanding of the disease etiology. While deep neural networks hold great promise for genetic association analysis, limited research has been focused on developing neural-network-based tests to dissect complex genotype-phenotype associations. This complexity arises from the opaque nature of neural networks and the absence of defined limiting distributions. We have previously developed a kernel-based neural network model (KNN) that synergizes the strengths of linear mixed models with conventional neural networks. KNN adopts a computationally efficient minimum norm quadratic unbiased estimator (MINQUE) algorithm and uses KNN structure to capture the complex relationship between large-scale sequencing data and a disease phenotype of interest. In the KNN framework, we introduce a MINQUE-based test to assess the joint association of genetic variants with the phenotype, which considers non-linear and non-additive effects and follows a mixture of chi-square distributions. We also construct two additional tests to evaluate and interpret linear and non-linear/non-additive genetic effects, including interaction effects. Our simulations show that our method consistently controls the type I error rate under various conditions and achieves greater power than a commonly used sequence kernel association test (SKAT), especially when involving non-linear and interaction effects. When applied to real data from the UK Biobank, our approach identified genes associated with hippocampal volume, which can be further replicated and evaluated for their role in the pathogenesis of Alzheimer's disease.

Google app market captures the school of thought of users from every corner of the globe via ratings and text reviews, in a multilinguistic arena. The potential information from the reviews cannot be extracted manually, due to its exponential growth. So, Sentiment analysis, by machine learning and deep learning algorithms employing NLP, explicitly uncovers and interprets the emotions. This study performs the sentiment classification of the app reviews and identifies the university student's behavior towards the app market via exploratory analysis. We applied machine learning algorithms using the TP, TF, and TF IDF text representation scheme and evaluated its performance on Bagging, an ensemble learning method. We used word embedding, Glove, on the deep learning paradigms. Our model was trained on Google app reviews and tested on Student's App Reviews(SAR). The various combinations of these algorithms were compared amongst each other using F score and accuracy and inferences were highlighted graphically. SVM, amongst other classifiers, gave fruitful accuracy(93.41%), F score(89%) on bigram and TF IDF scheme. Bagging enhanced the performance of LR and NB with accuracy of 87.88% and 86.69% and F score of 86% and 78% respectively. Overall, LSTM on Glove embedding recorded the highest accuracy(95.2%) and F score(88%).

Mitigating catastrophic forgetting is a key hurdle in continual learning. Deep Generative Replay (GR) provides techniques focused on generating samples from prior tasks to enhance the model's memory capabilities. With the progression in generative AI, generative models have advanced from Generative Adversarial Networks (GANs) to the more recent Diffusion Models (DMs). A major issue is the deterioration in the quality of generated data compared to the original, as the generator continuously self-learns from its outputs. This degradation can lead to the potential risk of catastrophic forgetting occurring in the classifier. To address this, we propose the Class-Prototype Conditional Diffusion Model (CPDM), a GR-based approach for continual learning that enhances image quality in generators and thus reduces catastrophic forgetting in classifiers. The cornerstone of CPDM is a learnable class-prototype that captures the core characteristics of images in a given class. This prototype, integrated into the diffusion model's denoising process, ensures the generation of high-quality images. It maintains its effectiveness for old tasks even when new tasks are introduced, preserving image generation quality and reducing the risk of catastrophic forgetting in classifiers. Our empirical studies on diverse datasets demonstrate that our proposed method significantly outperforms existing state-of-the-art models, highlighting its exceptional ability to preserve image quality and enhance the model's memory retention.

Recent works have shown a reduction from contextual bandits to online regression under a realizability assumption [Foster and Rakhlin, 2020, Foster and Krishnamurthy, 2021]. In this work, we investigate the use of neural networks for such online regression and associated Neural Contextual Bandits (NeuCBs). Using existing results for wide networks, one can readily show a ${\mathcal{O}}(\sqrt{T})$ regret for online regression with square loss, which via the reduction implies a ${\mathcal{O}}(\sqrt{K} T^{3/4})$ regret for NeuCBs. Departing from this standard approach, we first show a $\mathcal{O}(\log T)$ regret for online regression with almost convex losses that satisfy QG (Quadratic Growth) condition, a generalization of the PL (Polyak-\L ojasiewicz) condition, and that have a unique minima. Although not directly applicable to wide networks since they do not have unique minima, we show that adding a suitable small random perturbation to the network predictions surprisingly makes the loss satisfy QG with unique minima. Based on such a perturbed prediction, we show a ${\mathcal{O}}(\log T)$ regret for online regression with both squared loss and KL loss, and subsequently convert these respectively to $\tilde{\mathcal{O}}(\sqrt{KT})$ and $\tilde{\mathcal{O}}(\sqrt{KL^*} + K)$ regret for NeuCB, where $L^*$ is the loss of the best policy. Separately, we also show that existing regret bounds for NeuCBs are $\Omega(T)$ or assume i.i.d. contexts, unlike this work. Finally, our experimental results on various datasets demonstrate that our algorithms, especially the one based on KL loss, persistently outperform existing algorithms.

While intelligent virtual assistants like Siri, Alexa, and Google Assistant have become ubiquitous in modern life, they still face limitations in their ability to follow multi-step instructions and accomplish complex goals articulated in natural language. However, recent breakthroughs in large language models (LLMs) show promise for overcoming existing barriers by enhancing natural language processing and reasoning capabilities. Though promising, applying LLMs to create more advanced virtual assistants still faces challenges like ensuring robust performance and handling variability in real-world user commands. This paper proposes a novel LLM-based virtual assistant that can automatically perform multi-step operations within mobile apps based on high-level user requests. The system represents an advance in assistants by providing an end-to-end solution for parsing instructions, reasoning about goals, and executing actions. LLM-based Process Automation (LLMPA) has modules for decomposing instructions, generating descriptions, detecting interface elements, predicting next actions, and error checking. Experiments demonstrate the system completing complex mobile operation tasks in Alipay based on natural language instructions. This showcases how large language models can enable automated assistants to accomplish real-world tasks. The main contributions are the novel LLMPA architecture optimized for app process automation, the methodology for applying LLMs to mobile apps, and demonstrations of multi-step task completion in a real-world environment. Notably, this work represents the first real-world deployment and extensive evaluation of a large language model-based virtual assistant in a widely used mobile application with an enormous user base numbering in the hundreds of millions.

In Multimodal Large Language Models (MLLMs), a visual projector plays a crucial role in bridging pre-trained vision encoders with LLMs, enabling profound visual understanding while harnessing the LLMs' robust capabilities. Despite the importance of the visual projector, it has been relatively less explored. In this study, we first identify two essential projector properties: (i) flexibility in managing the number of visual tokens, crucial for MLLMs' overall efficiency, and (ii) preservation of local context from visual features, vital for spatial understanding. Based on these findings, we propose a novel projector design that is both flexible and locality-enhanced, effectively satisfying the two desirable properties. Additionally, we present comprehensive strategies to effectively utilize multiple and multifaceted instruction datasets. Through extensive experiments, we examine the impact of individual design choices. Finally, our proposed MLLM, Honeybee, remarkably outperforms previous state-of-the-art methods across various benchmarks, including MME, MMBench, SEED-Bench, and LLaVA-Bench, achieving significantly higher efficiency. Code and models are available at https://github.com/kakaobrain/honeybee.

Split learning enables efficient and privacy-aware training of a deep neural network by splitting a neural network so that the clients (data holders) compute the first layers and only share the intermediate output with the central compute-heavy server. This paradigm introduces a new attack medium in which the server has full control over what the client models learn, which has already been exploited to infer the private data of clients and to implement backdoors in the client models. Although previous work has shown that clients can successfully detect such training-hijacking attacks, the proposed methods rely on heuristics, require tuning of many hyperparameters, and do not fully utilize the clients' capabilities. In this work, we show that given modest assumptions regarding the clients' compute capabilities, an out-of-the-box outlier detection method can be used to detect existing training-hijacking attacks with almost-zero false positive rates. We conclude through experiments on different tasks that the simplicity of our approach we name SplitOut makes it a more viable and reliable alternative compared to the earlier detection methods.

Due to costs and practical constraints, field campaigns in the atmospheric boundary layer typically only measure a fraction of the atmospheric volume of interest. Machine learning techniques have previously successfully reconstructed unobserved regions of flow in canonical fluid mechanics problems and two-dimensional geophysical flows, but these techniques have not yet been demonstrated in the three-dimensional atmospheric boundary layer. Here, we conduct a numerical analogue of a field campaign with spatially limited measurements using large-eddy simulation. We pose flow reconstruction as an inpainting problem, and reconstruct realistic samples of turbulent, three-dimensional flow with the use of a latent diffusion model. The diffusion model generates physically plausible turbulent structures on larger spatial scales, even when input observations cover less than 1% of the volume. Through a combination of qualitative visualization and quantitative assessment, we demonstrate that the diffusion model generates meaningfully diverse samples when conditioned on just one observation. These samples successfully serve as initial conditions for a large-eddy simulation code. We find that diffusion models show promise and potential for other applications for other turbulent flow reconstruction problems.

Estimating the prevalence of a medical condition, or the proportion of the population in which it occurs, is a fundamental problem in healthcare and public health. Accurate estimates of the relative prevalence across groups -- capturing, for example, that a condition affects women more frequently than men -- facilitate effective and equitable health policy which prioritizes groups who are disproportionately affected by a condition. However, it is difficult to estimate relative prevalence when a medical condition is underreported. In this work, we provide a method for accurately estimating the relative prevalence of underreported medical conditions, building upon the positive unlabeled learning framework. We show that under the commonly made covariate shift assumption -- i.e., that the probability of having a disease conditional on symptoms remains constant across groups -- we can recover the relative prevalence, even without restrictive assumptions commonly made in positive unlabeled learning and even if it is impossible to recover the absolute prevalence. We conduct experiments on synthetic and real health data which demonstrate our method's ability to recover the relative prevalence more accurately than do baselines, and demonstrate the method's robustness to plausible violations of the covariate shift assumption. We conclude by illustrating the applicability of our method to case studies of intimate partner violence and hate speech.

Open-world survival games pose significant challenges for AI algorithms due to their multi-tasking, deep exploration, and goal prioritization requirements. Despite reinforcement learning (RL) being popular for solving games, its high sample complexity limits its effectiveness in complex open-world games like Crafter or Minecraft. We propose a novel approach, SPRING, to read the game's original academic paper and use the knowledge learned to reason and play the game through a large language model (LLM). Prompted with the LaTeX source as game context and a description of the agent's current observation, our SPRING framework employs a directed acyclic graph (DAG) with game-related questions as nodes and dependencies as edges. We identify the optimal action to take in the environment by traversing the DAG and calculating LLM responses for each node in topological order, with the LLM's answer to final node directly translating to environment actions. In our experiments, we study the quality of in-context "reasoning" induced by different forms of prompts under the setting of the Crafter open-world environment. Our experiments suggest that LLMs, when prompted with consistent chain-of-thought, have great potential in completing sophisticated high-level trajectories. Quantitatively, SPRING with GPT-4 outperforms all state-of-the-art RL baselines, trained for 1M steps, without any training. Finally, we show the potential of games as a test bed for LLMs.

Transformer-based models, such as BERT, have been widely applied in a wide range of natural language processing tasks. However, one inevitable side effect is that they require massive memory storage and inference cost when deployed in production. Quantization is one of the popularized ways to alleviate the cost. However, the previous 8-bit quantization strategy based on INT8 data format either suffers from the degradation of accuracy in a Post-Training Quantization (PTQ) fashion or requires an expensive Quantization-Aware Training (QAT) process. Recently, a new numeric format FP8 (i.e. floating-point of 8-bits) has been proposed and supported in commercial AI computing platforms such as H100. In this paper, we empirically validate the effectiveness of FP8 as a way to do Post-Training Quantization without significant loss of accuracy, with a simple calibration and format conversion process. We adopt the FP8 standard proposed by NVIDIA Corp. (2022) in our extensive experiments of BERT variants on GLUE and SQuAD v1.1 datasets, and show that PTQ with FP8 can significantly improve the accuracy upon that with INT8, to the extent of the full-precision model.

The demand for high-speed data is exponentially growing. To conquer this, optical networks underwent significant changes getting more complex and versatile. The increasing complexity necessitates the fault management to be more adaptive to enhance network assurance. In this paper, we experimentally compare the performance of soft-failure management of different machine learning algorithms. We further introduce a machine-learning based soft-failure management framework. It utilizes a variational autoencoder based generative adversarial network (VAE-GAN) running on optical spectral data obtained by optical spectrum analyzers. The framework is able to reliably run on a fraction of available training data as well as identifying unknown failure types. The investigations show, that the VAE-GAN outperforms the other machine learning algorithms when up to 10\% of the total training data is available in identification tasks. Furthermore, the advanced training mechanism for the GAN shows a high F1-score for unknown spectrum identification. The failure localization comparison shows the advantage of a low complexity neural network in combination with a VAE over established machine learning algorithms.

The ability for a machine learning model to cope with differences in training and deployment conditions--e.g. in the presence of distribution shift or the generalization to new classes altogether--is crucial for real-world use cases. However, most empirical work in this area has focused on the image domain with artificial benchmarks constructed to measure individual aspects of generalization. We present BIRB, a complex benchmark centered on the retrieval of bird vocalizations from passively-recorded datasets given focal recordings from a large citizen science corpus available for training. We propose a baseline system for this collection of tasks using representation learning and a nearest-centroid search. Our thorough empirical evaluation and analysis surfaces open research directions, suggesting that BIRB fills the need for a more realistic and complex benchmark to drive progress on robustness to distribution shifts and generalization of ML models.

We propose TopDis (Topological Disentanglement), a method for learning disentangled representations via adding multi-scale topological loss term. Disentanglement is a crucial property of data representations substantial for the explainability and robustness of deep learning models and a step towards high-level cognition. The state-of-the-art method based on VAE minimizes the total correlation of the joint distribution of latent variables. We take a different perspective on disentanglement by analyzing topological properties of data manifolds. In particular, we optimize the topological similarity for data manifolds traversals. To the best of our knowledge, our paper is the first one to propose a differentiable topological loss for disentanglement. Our experiments have shown that the proposed topological loss improves disentanglement scores such as MIG, FactorVAE score, SAP score and DCI disentanglement score with respect to state-of-the-art results. Our method works in an unsupervised manner, permitting to apply it for problems without labeled factors of variation. Additionally, we show how to use the proposed topological loss to find disentangled directions in a trained GAN.

Animals often demonstrate a remarkable ability to adapt to their environments during their lifetime. They do so partly due to the evolution of morphological and neural structures. These structures capture features of environments shared between generations to bias and speed up lifetime learning. In this work, we propose a computational model for studying a mechanism that can enable such a process. We adopt a computational framework based on meta reinforcement learning as a model of the interplay between evolution and development. At the evolutionary scale, we evolve reservoirs, a family of recurrent neural networks that differ from conventional networks in that one optimizes not the weight values but hyperparameters of the architecture: the later control macro-level properties, such as memory and dynamics. At the developmental scale, we employ these evolved reservoirs to facilitate the learning of a behavioral policy through Reinforcement Learning (RL). Within an RL agent, a reservoir encodes the environment state before providing it to an action policy. We evaluate our approach on several 2D and 3D simulated environments. Our results show that the evolution of reservoirs can improve the learning of diverse challenging tasks. We study in particular three hypotheses: the use of an architecture combining reservoirs and reinforcement learning could enable (1) solving tasks with partial observability, (2) generating oscillatory dynamics that facilitate the learning of locomotion tasks, and (3) facilitating the generalization of learned behaviors to new tasks unknown during the evolution phase.

The Segment Anything Model (SAM) is the first foundation model for general image segmentation. It has achieved impressive results on various natural image segmentation tasks. However, medical image segmentation (MIS) is more challenging because of the complex modalities, fine anatomical structures, uncertain and complex object boundaries, and wide-range object scales. To fully validate SAM's performance on medical data, we collected and sorted 53 open-source datasets and built a large medical segmentation dataset with 18 modalities, 84 objects, 125 object-modality paired targets, 1050K 2D images, and 6033K masks. We comprehensively analyzed different models and strategies on the so-called COSMOS 1050K dataset. Our findings mainly include the following: 1) SAM showed remarkable performance in some specific objects but was unstable, imperfect, or even totally failed in other situations. 2) SAM with the large ViT-H showed better overall performance than that with the small ViT-B. 3) SAM performed better with manual hints, especially box, than the Everything mode. 4) SAM could help human annotation with high labeling quality and less time. 5) SAM was sensitive to the randomness in the center point and tight box prompts, and may suffer from a serious performance drop. 6) SAM performed better than interactive methods with one or a few points, but will be outpaced as the number of points increases. 7) SAM's performance correlated to different factors, including boundary complexity, intensity differences, etc. 8) Finetuning the SAM on specific medical tasks could improve its average DICE performance by 4.39% and 6.68% for ViT-B and ViT-H, respectively. We hope that this comprehensive report can help researchers explore the potential of SAM applications in MIS, and guide how to appropriately use and develop SAM.

A popular approach to protein design is to combine a generative model with a discriminative model for conditional sampling. The generative model samples plausible sequences while the discriminative model guides a search for sequences with high fitness. Given its broad success in conditional sampling, classifier-guided diffusion modeling is a promising foundation for protein design, leading many to develop guided diffusion models for structure with inverse folding to recover sequences. In this work, we propose diffusioN Optimized Sampling (NOS), a guidance method for discrete diffusion models that follows gradients in the hidden states of the denoising network. NOS makes it possible to perform design directly in sequence space, circumventing significant limitations of structure-based methods, including scarce data and challenging inverse design. Moreover, we use NOS to generalize LaMBO, a Bayesian optimization procedure for sequence design that facilitates multiple objectives and edit-based constraints. The resulting method, LaMBO-2, enables discrete diffusions and stronger performance with limited edits through a novel application of saliency maps. We apply LaMBO-2 to a real-world protein design task, optimizing antibodies for higher expression yield and binding affinity to several therapeutic targets under locality and developability constraints, attaining a 99% expression rate and 40% binding rate in exploratory in vitro experiments.

The advent of Large Language Models (LLMs) has made a transformative impact. However, the potential that LLMs such as ChatGPT can be exploited to generate misinformation has posed a serious concern to online safety and public trust. A fundamental research question is: will LLM-generated misinformation cause more harm than human-written misinformation? We propose to tackle this question from the perspective of detection difficulty. We first build a taxonomy of LLM-generated misinformation. Then we categorize and validate the potential real-world methods for generating misinformation with LLMs. Then, through extensive empirical investigation, we discover that LLM-generated misinformation can be harder to detect for humans and detectors compared to human-written misinformation with the same semantics, which suggests it can have more deceptive styles and potentially cause more harm. We also discuss the implications of our discovery on combating misinformation in the age of LLMs and the countermeasures.

State-of-the-art AI systems can be significantly improved without expensive retraining via "post-training enhancements"-techniques applied after initial training like fine-tuning the system to use a web browser. We review recent post-training enhancements, categorizing them into five types: tool-use, prompting methods, scaffolding, solution selection, and data generation. Different enhancements improve performance on different tasks, making it hard to compare their significance. So we translate improvements from different enhancements into a common currency, the compute-equivalent gain: how much additional training compute would be needed to improve performance by the same amount as the enhancement. Our non-experimental work shows that post-training enhancements have significant benefits: most surveyed enhancements improve benchmark performance by more than a 5x increase in training compute, some by more than 20x. Post-training enhancements are relatively cheap to develop: fine-tuning costs are typically <1% of the original training cost. Governing the development of capable post-training enhancements may be challenging because frontier models could be enhanced by a wide range of actors.

Researchers produce thousands of scholarly documents containing valuable technical knowledge. The community faces the laborious task of reading these documents to identify, extract, and synthesize information. To automate information gathering, document-level question answering (QA) offers a flexible framework where human-posed questions can be adapted to extract diverse knowledge. Finetuning QA systems requires access to labeled data (tuples of context, question and answer). However, data curation for document QA is uniquely challenging because the context (i.e. answer evidence passage) needs to be retrieved from potentially long, ill-formatted documents. Existing QA datasets sidestep this challenge by providing short, well-defined contexts that are unrealistic in real-world applications. We present a three-stage document QA approach: (1) text extraction from PDF; (2) evidence retrieval from extracted texts to form well-posed contexts; (3) QA to extract knowledge from contexts to return high-quality answers -- extractive, abstractive, or Boolean. Using QASPER for evaluation, our detect-retrieve-comprehend (DRC) system achieves a +7.19 improvement in Answer-F1 over existing baselines while delivering superior context selection. Our results demonstrate that DRC holds tremendous promise as a flexible framework for practical scientific document QA.

Adversarial attacks, particularly patch attacks, pose significant threats to the robustness and reliability of deep learning models. Developing reliable defenses against patch attacks is crucial for real-world applications, yet current research in this area is unsatisfactory. In this paper, we propose DIFFender, a novel defense method that leverages a text-guided diffusion model to defend against adversarial patches. DIFFender includes two main stages: patch localization and patch restoration. In the localization stage, we find and exploit an intriguing property of the diffusion model to precisely identify the locations of adversarial patches. In the restoration stage, we employ the diffusion model to reconstruct the adversarial regions in the images while preserving the integrity of the visual content. Thanks to the former finding, these two stages can be simultaneously guided by a unified diffusion model. Thus, we can utilize the close interaction between them to improve the whole defense performance. Moreover, we propose a few-shot prompt-tuning algorithm to fine-tune the diffusion model, enabling the pre-trained diffusion model to adapt to the defense task easily. We conduct extensive experiments on image classification, face recognition, and further in the physical world, demonstrating that our proposed method exhibits superior robustness under strong adaptive attacks and generalizes well across various scenarios, diverse classifiers, and multiple patch attack methods.

Emotion detection is a crucial component of Games User Research (GUR), as it allows game developers to gain insights into players' emotional experiences and tailor their games accordingly. However, detecting emotions in Virtual Reality (VR) games is challenging due to the Head-Mounted Display (HMD) that covers the top part of the player's face, namely, their eyes and eyebrows, which provide crucial information for recognizing the impression. To tackle this we used a Convolutional Neural Network (CNN) to train a model to predict emotions in full-face images where the eyes and eyebrows are covered. We used the FER2013 dataset, which we modified to cover eyes and eyebrows in images. The model in these images can accurately recognize seven different emotions which are anger, happiness, disgust, fear, impartiality, sadness and surprise. We assessed the model's performance by testing it on two VR games and using it to detect players' emotions. We collected self-reported emotion data from the players after the gameplay sessions. We analyzed the data collected from our experiment to understand which emotions players experience during the gameplay. We found that our approach has the potential to enhance gameplay analysis by enabling the detection of players' emotions in VR games, which can help game developers create more engaging and immersive game experiences.

Representation learning plays a critical role in the analysis of time series data and has high practical value across a wide range of applications. including trend analysis, time series data retrieval and forecasting. In practice, data confusion is a significant issue as it can considerably impact the effectiveness and accuracy of data analysis, machine learning models and decision-making processes. In general, previous studies did not consider the variability at various levels of granularity, thus resulting in inadequate information utilization, which further exacerbated the issue of data confusion. This paper proposes an unsupervised framework to realize multi-granularity representation learning for time series. Specifically, we employed a cross-granularity transformer to develop an association between fine- and coarse-grained representations. In addition, we introduced a retrieval task as an unsupervised training task to learn the multi-granularity representation of time series. Moreover, a novel loss function was designed to obtain the comprehensive multi-granularity representation of the time series via unsupervised learning. The experimental results revealed that the proposed framework demonstrates significant advantages over alternative representation learning models.

We propose a lightweight continual learning method which incorporates information from specialized datasets incrementally, by integrating it along the vector field of "generalist" models. The tangent plane to the specialist model acts as a generalist guide and avoids the kind of over-fitting that leads to catastrophic forgetting, while exploiting the convexity of the optimization landscape in the tangent plane. It maintains a small fixed-size memory buffer, as low as 0.4% of the source datasets, which is updated by simple resampling. Our method achieves strong performance across various buffer sizes for different datasets. Specifically, in the class-incremental setting we outperform the existing methods that do not require distillation by an average of 18.77% and 28.48%, for Seq-CIFAR-10 and Seq-TinyImageNet respectively. Our method can easily be used in conjunction with existing replay-based continual learning methods. When memory buffer constraints are relaxed to allow storage of metadata such as logits, we attain an error reduction of 17.84% towards the paragon performance on Seq-CIFAR-10.

Despite the widespread testing protocols for COVID-19, there are still significant challenges in early detection of the disease, which is crucial for preventing its spread and optimizing patient outcomes. Owing to the limited testing capacity in resource-strapped settings and the limitations of the available traditional methods of testing, it has been established that a fast and efficient strategy is important to fully stop the virus. Machine learning models can analyze large datasets, incorporating patient-reported symptoms, clinical data, and medical imaging. Symptom-based detection methods have been developed to predict COVID-19, and they have shown promising results. In this paper, we provide an overview of the landscape of symptoms-only machine learning models for predicting COVID-19, including their performance and limitations. The review will also examine the performance of symptom-based models when compared to image-based models. Because different studies used varying datasets, methodologies, and performance metrics. Selecting the model that performs best relies on the context and objectives of the research. However, based on the results, we observed that ensemble classifier performed exceptionally well in predicting the occurrence of COVID-19 based on patient symptoms with the highest overall accuracy of 97.88%. Gradient Boosting Algorithm achieved an AUC (Area Under the Curve) of 0.90 and identified key features contributing to the decision-making process. Image-based models, as observed in the analyzed studies, have consistently demonstrated higher accuracy than symptom-based models, often reaching impressive levels ranging from 96.09% to as high as 99%.

Accurate estimation of thermospheric density is critical for precise modeling of satellite drag forces in low Earth orbit (LEO). Improving this estimation is crucial to tasks such as state estimation, collision avoidance, and re-entry calculations. The largest source of uncertainty in determining thermospheric density is modeling the effects of space weather driven by solar and geomagnetic activity. Current operational models rely on ground-based proxy indices which imperfectly correlate with the complexity of solar outputs and geomagnetic responses. In this work, we directly incorporate NASA's Solar Dynamics Observatory (SDO) extreme ultraviolet (EUV) spectral images into a neural thermospheric density model to determine whether the predictive performance of the model is increased by using space-based EUV imagery data instead of, or in addition to, the ground-based proxy indices. We demonstrate that EUV imagery can enable predictions with much higher temporal resolution and replace ground-based proxies while significantly increasing performance relative to current operational models. Our method paves the way for assimilating EUV image data into operational thermospheric density forecasting models for use in LEO satellite navigation processes.

In clinical artificial intelligence (AI), graph representation learning, mainly through graph neural networks (GNNs), stands out for its capability to capture intricate relationships within structured clinical datasets. With diverse data -- from patient records to imaging -- GNNs process data holistically by viewing modalities as nodes interconnected by their relationships. Graph AI facilitates model transfer across clinical tasks, enabling models to generalize across patient populations without additional parameters or minimal re-training. However, the importance of human-centered design and model interpretability in clinical decision-making cannot be overstated. Since graph AI models capture information through localized neural transformations defined on graph relationships, they offer both an opportunity and a challenge in elucidating model rationale. Knowledge graphs can enhance interpretability by aligning model-driven insights with medical knowledge. Emerging graph models integrate diverse data modalities through pre-training, facilitate interactive feedback loops, and foster human-AI collaboration, paving the way to clinically meaningful predictions.

We introduce "PatchMorph," an new stochastic deep learning algorithm tailored for unsupervised 3D brain image registration. Unlike other methods, our method uses compact patches of a constant small size to derive solutions that can combine global transformations with local deformations. This approach minimizes the memory footprint of the GPU during training, but also enables us to operate on numerous amounts of randomly overlapping small patches during inference to mitigate image and patch boundary problems. PatchMorph adeptly handles world coordinate transformations between two input images, accommodating variances in attributes such as spacing, array sizes, and orientations. The spatial resolution of patches transitions from coarse to fine, addressing both global and local attributes essential for aligning the images. Each patch offers a unique perspective, together converging towards a comprehensive solution. Experiments on human T1 MRI brain images and marmoset brain images from serial 2-photon tomography affirm PatchMorph's superior performance.

We apply a physics-informed deep-learning approach the PINN approach to the Black-Scholes equation for pricing American and European options. We test our approach on both simulated as well as real market data, compare it to analytical/numerical benchmarks. Our model is able to accurately capture the price behaviour on simulation data, while also exhibiting reasonable performance for market data. We also experiment with the architecture and learning process of our PINN model to provide more understanding of convergence and stability issues that impact performance.

Battery Electric Vehicles (BEVs) are increasingly significant in modern cities due to their potential to reduce air pollution. Precise and real-time estimation of energy consumption for them is imperative for effective itinerary planning and optimizing vehicle systems, which can reduce driving range anxiety and decrease energy costs. As public awareness of data privacy increases, adopting approaches that safeguard data privacy in the context of BEV energy consumption modeling is crucial. Federated Learning (FL) is a promising solution mitigating the risk of exposing sensitive information to third parties by allowing local data to remain on devices and only sharing model updates with a central server. Our work investigates the potential of using FL methods, such as FedAvg, and FedPer, to improve BEV energy consumption prediction while maintaining user privacy. We conducted experiments using data from 10 BEVs under simulated real-world driving conditions. Our results demonstrate that the FedAvg-LSTM model achieved a reduction of up to 67.84\% in the MAE value of the prediction results. Furthermore, we explored various real-world scenarios and discussed how FL methods can be employed in those cases. Our findings show that FL methods can effectively improve the performance of BEV energy consumption prediction while maintaining user privacy.

We propose a weakly supervised semantic segmentation method for point clouds that predicts "per-point" labels from just "whole-scene" annotations while achieving the performance of recent fully supervised approaches. Our core idea is to propagate the scene-level labels to each point in the point cloud by creating pseudo labels in a conservative way. Specifically, we over-segment point cloud features via unsupervised clustering and associate scene-level labels with clusters through bipartite matching, thus propagating scene labels only to the most relevant clusters, leaving the rest to be guided solely via unsupervised clustering. We empirically demonstrate that over-segmentation and bipartite assignment plays a crucial role. We evaluate our method on ScanNet and S3DIS datasets, outperforming state of the art, and demonstrate that we can achieve results comparable to fully supervised methods.

Diffusion Transformers have recently shown remarkable effectiveness in generating high-quality 3D point clouds. However, training voxel-based diffusion models for high-resolution 3D voxels remains prohibitively expensive due to the cubic complexity of attention operators, which arises from the additional dimension of voxels. Motivated by the inherent redundancy of 3D compared to 2D, we propose FastDiT-3D, a novel masked diffusion transformer tailored for efficient 3D point cloud generation, which greatly reduces training costs. Specifically, we draw inspiration from masked autoencoders to dynamically operate the denoising process on masked voxelized point clouds. We also propose a novel voxel-aware masking strategy to adaptively aggregate background/foreground information from voxelized point clouds. Our method achieves state-of-the-art performance with an extreme masking ratio of nearly 99%. Moreover, to improve multi-category 3D generation, we introduce Mixture-of-Expert (MoE) in 3D diffusion model. Each category can learn a distinct diffusion path with different experts, relieving gradient conflict. Experimental results on the ShapeNet dataset demonstrate that our method achieves state-of-the-art high-fidelity and diverse 3D point cloud generation performance. Our FastDiT-3D improves 1-Nearest Neighbor Accuracy and Coverage metrics when generating 128-resolution voxel point clouds, using only 6.5% of the original training cost.

Besides performance, efficiency is a key design driver of technologies supporting vehicular perception. Indeed, a well-balanced trade-off between performance and energy consumption is crucial for the sustainability of autonomous vehicles. In this context, the diversity of real-world contexts in which autonomous vehicles can operate motivates the need for empowering perception models with the capability to detect, characterize and identify newly appearing objects by themselves. In this manuscript we elaborate on this threefold conundrum (performance, efficiency and open-world learning) for object detection modeling tasks over image data collected from vehicular scenarios. Specifically, we show that well-performing and efficient models can be realized by virtue of Spiking Neural Networks (SNNs), reaching competitive levels of detection performance when compared to their non-spiking counterparts at dramatic energy consumption savings (up to 85%) and a slightly improved robustness against image noise. Our experiments herein offered also expose qualitatively the complexity of detecting new objects based on the preliminary results of a simple approach to discriminate potential object proposals in the captured image.

Here we search for the best automated classification approach for a set of complex legal documents. Our classification task is not trivial: our aim is to classify ca 30,000 public courthouse records from 12 states and 267 counties at two different levels using nine sub-categories. Specifically, we investigated whether a fine-tuned large language model (LLM) can achieve the accuracy of a bespoke custom-trained model, and what is the amount of fine-tuning necessary.

Video moment retrieval is a challenging task requiring fine-grained interactions between video and text modalities. Recent work in image-text pretraining has demonstrated that most existing pretrained models suffer from information asymmetry due to the difference in length between visual and textual sequences. We question whether the same problem also exists in the video-text domain with an auxiliary need to preserve both spatial and temporal information. Thus, we evaluate a recently proposed solution involving the addition of an asymmetric co-attention network for video grounding tasks. Additionally, we incorporate momentum contrastive loss for robust, discriminative representation learning in both modalities. We note that the integration of these supplementary modules yields better performance compared to state-of-the-art models on the TACoS dataset and comparable results on ActivityNet Captions, all while utilizing significantly fewer parameters with respect to baseline.

Traditional multi-armed bandit (MAB) frameworks, predominantly examined under stochastic or adversarial settings, often overlook the temporal dynamics inherent in many real-world applications such as recommendation systems and online advertising. This paper introduces a novel non-stationary MAB framework that captures the temporal structure of these real-world dynamics through an auto-regressive (AR) reward structure. We propose an algorithm that integrates two key mechanisms: (i) an alternation mechanism adept at leveraging temporal dependencies to dynamically balance exploration and exploitation, and (ii) a restarting mechanism designed to discard out-of-date information. Our algorithm achieves a regret upper bound that nearly matches the lower bound, with regret measured against a robust dynamic benchmark. Finally, via a real-world case study on tourism demand prediction, we demonstrate both the efficacy of our algorithm and the broader applicability of our techniques to more complex, rapidly evolving time series.

In this paper, we explore the graph partitioning problem, a pivotal combina-torial optimization challenge with extensive applications in various fields such as science, technology, and business. Recognized as an NP-hard prob-lem, graph partitioning lacks polynomial-time algorithms for its resolution. Recently, there has been a burgeoning interest in leveraging machine learn-ing, particularly approaches like supervised, unsupervised, and reinforce-ment learning, to tackle such NP-hard problems. However, these methods face significant hurdles: supervised learning is constrained by the necessity of labeled solution instances, which are often computationally impractical to obtain; reinforcement learning grapples with instability in the learning pro-cess; and unsupervised learning contends with the absence of a differentia-ble loss function, a consequence of the discrete nature of most combinatorial optimization problems. Addressing these challenges, our research introduces a novel pipeline employing an unsupervised graph neural network to solve the graph partitioning problem. The core innovation of this study is the for-mulation of a differentiable loss function tailored for this purpose. We rigor-ously evaluate our methodology against contemporary state-of-the-art tech-niques, focusing on metrics: cuts and balance, and our findings reveal that our is competitive with these leading methods.

Understanding object recognition patterns in mice is crucial for advancing behavioral neuroscience and has significant implications for human health, particularly in the realm of Alzheimer's research. This study is centered on the development, application, and evaluation of a state-of-the-art computational pipeline designed to analyze such behaviors, specifically focusing on Novel Object Recognition (NOR) and Spontaneous Location Recognition (SLR) tasks. The pipeline integrates three advanced computational models: Any-Maze for initial data collection, DeepLabCut for detailed pose estimation, and Convolutional Neural Networks (CNNs) for nuanced behavioral classification. Employed across four distinct mouse groups, this pipeline demonstrated high levels of accuracy and robustness. Despite certain challenges like video quality limitations and the need for manual calculations, the results affirm the pipeline's efficacy and potential for scalability. The study serves as a proof of concept for a multidimensional computational approach to behavioral neuroscience, emphasizing the pipeline's versatility and readiness for future, more complex analyses.

The multi-armed bandit(MAB) is a classical sequential decision problem. Most work requires assumptions about the reward distribution (e.g., bounded), while practitioners may have difficulty obtaining information about these distributions to design models for their problems, especially in non-stationary MAB problems. This paper aims to design a multi-armed bandit algorithm that can be implemented without using information about the reward distribution while still achieving substantial regret upper bounds. To this end, we propose a novel algorithm alternating between greedy rule and forced exploration. Our method can be applied to Gaussian, Bernoulli and other subgaussian distributions, and its implementation does not require additional information. We employ a unified analysis method for different forced exploration strategies and provide problem-dependent regret upper bounds for stationary and piecewise-stationary settings. Furthermore, we compare our algorithm with popular bandit algorithms on different reward distributions.

Safety is the primary priority of autonomous driving. Nevertheless, no published dataset currently supports the direct and explainable safety evaluation for autonomous driving. In this work, we propose DeepAccident, a large-scale dataset generated via a realistic simulator containing diverse accident scenarios that frequently occur in real-world driving. The proposed DeepAccident dataset includes 57K annotated frames and 285K annotated samples, approximately 7 times more than the large-scale nuScenes dataset with 40k annotated samples. In addition, we propose a new task, end-to-end motion and accident prediction, which can be used to directly evaluate the accident prediction ability for different autonomous driving algorithms. Furthermore, for each scenario, we set four vehicles along with one infrastructure to record data, thus providing diverse viewpoints for accident scenarios and enabling V2X (vehicle-to-everything) research on perception and prediction tasks. Finally, we present a baseline V2X model named V2XFormer that demonstrates superior performance for motion and accident prediction and 3D object detection compared to the single-vehicle model.

This work studies the global convergence and implicit bias of Gauss Newton's (GN) when optimizing over-parameterized one-hidden layer networks in the mean-field regime. We first establish a global convergence result for GN in the continuous-time limit exhibiting a faster convergence rate compared to GD due to improved conditioning. We then perform an empirical study on a synthetic regression task to investigate the implicit bias of GN's method. While GN is consistently faster than GD in finding a global optimum, the learned model generalizes well on test data when starting from random initial weights with a small variance and using a small step size to slow down convergence. Specifically, our study shows that such a setting results in a hidden learning phenomenon, where the dynamics are able to recover features with good generalization properties despite the model having sub-optimal training and test performances due to an under-optimized linear layer. This study exhibits a trade-off between the convergence speed of GN and the generalization ability of the learned solution.

Federated Learning (FL) is an emerging paradigm that enables multiple users to collaboratively train a robust model in a privacy-preserving manner without sharing their private data. Most existing approaches of FL only consider traditional single-label image classification, ignoring the impact when transferring the task to multi-label image classification. Nevertheless, it is still challenging for FL to deal with user heterogeneity in their local data distribution in the real-world FL scenario, and this issue becomes even more severe in multi-label image classification. Inspired by the recent success of Transformers in centralized settings, we propose a novel FL framework for multi-label classification. Since partial label correlation may be observed by local clients during training, direct aggregation of locally updated models would not produce satisfactory performances. Thus, we propose a novel FL framework of Language-Guided Transformer (FedLGT) to tackle this challenging task, which aims to exploit and transfer knowledge across different clients for learning a robust global model. Through extensive experiments on various multi-label datasets (e.g., FLAIR, MS-COCO, etc.), we show that our FedLGT is able to achieve satisfactory performance and outperforms standard FL techniques under multi-label FL scenarios. Code is available at https://github.com/Jack24658735/FedLGT.

Causal inference from longitudinal observational data is a challenging problem due to the difficulty in correctly identifying the time-dependent confounders, especially in the presence of latent time-dependent confounders. Instrumental variable (IV) is a powerful tool for addressing the latent confounders issue, but the traditional IV technique cannot deal with latent time-dependent confounders in longitudinal studies. In this work, we propose a novel Time-dependent Instrumental Factor Model (TIFM) for time-varying causal effect estimation from data with latent time-dependent confounders. At each time-step, the proposed TIFM method employs the Recurrent Neural Network (RNN) architecture to infer latent IV, and then uses the inferred latent IV factor for addressing the confounding bias caused by the latent time-dependent confounders. We provide a theoretical analysis for the proposed TIFM method regarding causal effect estimation in longitudinal data. Extensive evaluation with synthetic datasets demonstrates the effectiveness of TIFM in addressing causal effect estimation over time. We further apply TIFM to a climate dataset to showcase the potential of the proposed method in tackling real-world problems.

Explainability and uncertainty quantification are two pillars of trustable artificial intelligence. However, the reasoning behind uncertainty estimates is generally left unexplained. Identifying the drivers of uncertainty complements explanations of point predictions in recognizing potential model limitations. It facilitates the detection of oversimplification in the uncertainty estimation process. Explanations of uncertainty enhance communication and trust in decisions. They allow for verifying whether the main drivers of model uncertainty are relevant and may impact model usage. So far, the subject of explaining uncertainties has been rarely studied. The few exceptions in existing literature are tailored to Bayesian neural networks or rely heavily on technically intricate approaches, hindering their broad adoption. We propose variance feature attribution, a simple and scalable solution to explain predictive aleatoric uncertainties. First, we estimate uncertainty as predictive variance by equipping a neural network with a Gaussian output distribution by adding a variance output neuron. Thereby, we can rely on pre-trained point prediction models and fine-tune them for meaningful variance estimation. Second, we apply out-of-the-box explainers on the variance output of these models to explain the uncertainty estimation. We evaluate our approach in a synthetic setting where the data-generating process is known. We show that our method can explain uncertainty influences more reliably and faster than the established baseline CLUE. We fine-tune a state-of-the-art age regression model to estimate uncertainty and obtain attributions. Our explanations highlight potential sources of uncertainty, such as laugh lines. Variance feature attribution provides accurate explanations for uncertainty estimates with little modifications to the model architecture and low computational overhead.

Transformers have achieved remarkable performance in multivariate time series(MTS) forecasting due to their capability to capture long-term dependencies. However, the canonical attention mechanism has two key limitations: (1) its quadratic time complexity limits the sequence length, and (2) it generates future values from the entire historical sequence. To address this, we propose a Dozer Attention mechanism consisting of three sparse components: (1) Local, each query exclusively attends to keys within a localized window of neighboring time steps. (2) Stride, enables each query to attend to keys at predefined intervals. (3) Vary, allows queries to selectively attend to keys from a subset of the historical sequence. Notably, the size of this subset dynamically expands as forecasting horizons extend. Those three components are designed to capture essential attributes of MTS data, including locality, seasonality, and global temporal dependencies. Additionally, we present the Dozerformer Framework, incorporating the Dozer Attention mechanism for the MTS forecasting task. We evaluated the proposed Dozerformer framework with recent state-of-the-art methods on nine benchmark datasets and confirmed its superior performance. The code will be released after the manuscript is accepted.

Long-term time series forecasting (LTSF) aims to predict future values of a time series given the past values. The current state-of-the-art (SOTA) on this problem is attained in some cases by linear-centric models, which primarily feature a linear mapping layer. However, due to their inherent simplicity, they are not able to adapt their prediction rules to periodic changes in time series patterns. To address this challenge, we propose a Mixture-of-Experts-style augmentation for linear-centric models and propose Mixture-of-Linear-Experts (MoLE). Instead of training a single model, MoLE trains multiple linear-centric models (i.e., experts) and a router model that weighs and mixes their outputs. While the entire framework is trained end-to-end, each expert learns to specialize in a specific temporal pattern, and the router model learns to compose the experts adaptively. Experiments show that MoLE reduces forecasting error of linear-centric models, including DLinear, RLinear, and RMLP, in over 78% of the datasets and settings we evaluated. By using MoLE existing linear-centric models can achieve SOTA LTSF results in 68% of the experiments that PatchTST reports and we compare to, whereas existing single-head linear-centric models achieve SOTA results in only 25% of cases. Additionally, MoLE models achieve SOTA in all settings for the newly released Weather2K datasets.

Quantification of the number of variables needed to locally explain complex data is often the first step to better understanding it. Existing techniques from intrinsic dimension estimation leverage statistical models to glean this information from samples within a neighborhood. However, existing methods often rely on well-picked hyperparameters and ample data as manifold dimension and curvature increases. Leveraging insight into the fixed point of the score matching objective as the score map is regularized by its Dirichlet energy, we show that it is possible to retrieve the topological dimension of the manifold learned by the score map. We then introduce a novel method to measure the learned manifold's topological dimension (i.e., local intrinsic dimension) using adversarial attacks, thereby generating useful interpretations of the learned manifold.

The learning dynamics of deep neural networks are not well understood. The information bottleneck (IB) theory proclaimed separate fitting and compression phases. But they have since been heavily debated. We comprehensively analyze the learning dynamics by investigating a layer's reconstruction ability of the input and prediction performance based on the evolution of parameters during training. We empirically show the existence of three phases using common datasets and architectures such as ResNet and VGG: (i) near constant reconstruction loss, (ii) decrease, and (iii) increase. We also derive an empirically grounded data model and prove the existence of phases for single-layer networks. Technically, our approach leverages classical complexity analysis. It differs from IB by relying on measuring reconstruction loss rather than information theoretic measures to relate information of intermediate layers and inputs. Our work implies a new best practice for transfer learning: We show empirically that the pre-training of a classifier should stop well before its performance is optimal.

We introduce Contrastive Activation Addition (CAA), an innovative method for steering language models by modifying activations during their forward passes. CAA computes ``steering vectors'' by averaging the difference in residual stream activations between pairs of positive and negative examples of a particular behavior such as factual versus hallucinatory responses. During inference, these steering vectors are added at all token positions after the user's prompt with either a positive or negative coefficient, allowing precise control over the degree of the targeted behavior. We evaluate CAA's effectiveness on Llama 2 Chat using both multiple-choice behavioral question datasets and open-ended generation tasks. We demonstrate that CAA significantly alters model behavior, outperforms traditional methods like finetuning and few-shot prompting, and minimally reduces capabilities. Moreover, by employing various activation space interpretation methods, we gain deeper insights into CAA's mechanisms. CAA both accurately steers model outputs and also sheds light on how high-level concepts are represented in Large Language Models (LLMs).

Training large AI models on numerous GPUs consumes a massive amount of energy. We observe that not all energy consumed during training directly contributes to end-to-end training throughput, and a significant portion can be removed without slowing down training, which we call energy bloat. In this work, we identify two independent sources of energy bloat in large model training, intrinsic and extrinsic, and propose Perseus, a unified optimization framework that mitigates both. Perseus obtains the "iteration time-energy" Pareto frontier of any large model training job using an efficient iterative graph cut-based algorithm and schedules energy consumption of its forward and backward computations across time to remove intrinsic and extrinsic energy bloat. Evaluation on large models like GPT-3 and Bloom shows that Perseus reduces energy consumption of large model training by up to 30%, enabling savings otherwise unobtainable before.

This paper introduces RACER, the Rational Artificial Intelligence Car-following model Enhanced by Reality, a cutting-edge deep learning car-following model, that satisfies partial derivative constraints, designed to predict Adaptive Cruise Control (ACC) driving behavior while staying theoretically feasible. Unlike conventional models, RACER effectively integrates Rational Driving Constraints (RDCs), crucial tenets of actual driving, resulting in strikingly accurate and realistic predictions. Against established models like the Optimal Velocity Relative Velocity (OVRV), a car-following Neural Network (NN), and a car-following Physics-Informed Neural Network (PINN), RACER excels across key metrics, such as acceleration, velocity, and spacing. Notably, it displays a perfect adherence to the RDCs, registering zero violations, in stark contrast to other models. This study highlights the immense value of incorporating physical constraints within AI models, especially for augmenting safety measures in transportation. It also paves the way for future research to test these models against human driving data, with the potential to guide safer and more rational driving behavior. The versatility of the proposed model, including its potential to incorporate additional derivative constraints and broader architectural applications, enhances its appeal and broadens its impact within the scientific community.

Link prediction in biomedical knowledge graphs (KGs) aims at predicting unknown interactions between entities, including drug-target interaction (DTI) and drug-drug interaction (DDI), which is critical for drug discovery and therapeutics. Previous methods prefer to utilize the rich semantic relations and topological structure of the KG to predict missing links, yielding promising outcomes. However, all these works only focus on improving the predictive performance without considering the inevitable noise and unreliable interactions existing in the KGs, which limits the development of KG-based computational methods. To address these limitations, we propose a Denoised Link Prediction framework, called DenoisedLP. DenoisedLP obtains reliable interactions based on the local subgraph by denoising noisy links in a learnable way, providing a universal module for mining underlying task-relevant relations. To collaborate with the smoothed semantic information, DenoisedLP introduces the semantic subgraph by blurring conflict relations around the predicted link. By maximizing the mutual information between the reliable structure and smoothed semantic relations, DenoisedLP emphasizes the informative interactions for predicting relation-specific links. Experimental results on real-world datasets demonstrate that DenoisedLP outperforms state-of-the-art methods on DTI and DDI prediction tasks, and verify the effectiveness and robustness of denoising unreliable interactions on the contaminated KGs.

Integration of machine learning (ML) into the topology optimization (TO) framework is attracting increasing attention, but data acquisition in data-driven models is prohibitive. Compared with popular ML methods, the physics-informed neural network (PINN) can avoid generating enormous amounts of data when solving forward problems and additionally provide better inference. To this end, a dynamically configured PINN-based topology optimization (DCPINN-TO) method is proposed. The DCPINN is composed of two subnetworks, namely the backbone neural network (NN) and the coefficient NN, where the coefficient NN has fewer trainable parameters. The designed architecture aims to dynamically configure trainable parameters; that is, an inexpensive NN is used to replace an expensive one at certain optimization cycles. Furthermore, an active sampling strategy is proposed to selectively sample collocations depending on the pseudo-densities at each optimization cycle. In this manner, the number of collocations will decrease with the optimization process but will hardly affect it. The Gaussian integral is used to calculate the strain energy of elements, which yields a byproduct of decoupling the mapping of the material at the collocations. Several examples with different resolutions validate the feasibility of the DCPINN-TO method, and multiload and multiconstraint problems are employed to illustrate its generalization. In addition, compared to finite element analysis-based TO (FEA-TO), the accuracy of the displacement prediction and optimization results indicate that the DCPINN-TO method is effective and efficient.

A thorough comprehension of textual data is a fundamental element in multi-modal video analysis tasks. However, recent works have shown that the current models do not achieve a comprehensive understanding of the textual data during the training for the target downstream tasks. Orthogonal to the previous approaches to this limitation, we postulate that understanding the significance of the sentence components according to the target task can potentially enhance the performance of the models. Hence, we utilize the knowledge of a pre-trained large language model (LLM) to generate text samples from the original ones, targeting specific sentence components. We propose a weakly supervised importance estimation module to compute the relative importance of the components and utilize them to improve different video-language tasks. Through rigorous quantitative analysis, our proposed method exhibits significant improvement across several video-language tasks. In particular, our approach notably enhances video-text retrieval by a relative improvement of 8.3\% in video-to-text and 1.4\% in text-to-video retrieval over the baselines, in terms of R@1. Additionally, in video moment retrieval, average mAP shows a relative improvement ranging from 2.0\% to 13.7 \% across different baselines.

We develop an automated pipeline to streamline neural architecture codesign for fast, real-time Bragg peak analysis in high-energy diffraction microscopy. Traditional approaches, notably pseudo-Voigt fitting, demand significant computational resources, prompting interest in deep learning models for more efficient solutions. Our method employs neural architecture search and AutoML to enhance these models, including hardware costs, leading to the discovery of more hardware-efficient neural architectures. Our results match the performance, while achieving a 13$\times$ reduction in bit operations compared to the previous state-of-the-art. We show further speedup through model compression techniques such as quantization-aware-training and neural network pruning. Additionally, our hierarchical search space provides greater flexibility in optimization, which can easily extend to other tasks and domains.

Agents' learning from feedback shapes economic outcomes, and many economic decision-makers today employ learning algorithms to make consequential choices. This note shows that a widely used learning algorithm, $\varepsilon$-Greedy, exhibits emergent risk aversion: it prefers actions with lower variance. When presented with actions of the same expectation, under a wide range of conditions, $\varepsilon$-Greedy chooses the lower-variance action with probability approaching one. This emergent preference can have wide-ranging consequences, ranging from concerns about fairness to homogenization, and holds transiently even when the riskier action has a strictly higher expected payoff. We discuss two methods to correct this bias. The first method requires the algorithm to reweight data as a function of how likely the actions were to be chosen. The second requires the algorithm to have optimistic estimates of actions for which it has not collected much data. We show that risk-neutrality is restored with these corrections.

With the advent of interconnected and sensor-equipped edge devices, Federated Learning (FL) has gained significant attention, enabling decentralized learning while maintaining data privacy. However, FL faces two challenges in real-world tasks: expensive data labeling and domain shift between source and target samples. In this paper, we introduce a privacy-preserving, resource-efficient FL concept for client adaptation in hardware-constrained environments. Our approach includes server model pre-training on source data and subsequent fine-tuning on target data via low-end clients. The local client adaptation process is streamlined by probabilistic mixing of instance-level feature statistics approximated from source and target domain data. The adapted parameters are transferred back to the central server and globally aggregated. Preliminary results indicate that our method reduces computational and transmission costs while maintaining competitive performance on downstream tasks.

Adversarial training is often formulated as a min-max problem, however, concentrating only on the worst adversarial examples causes alternating repetitive confusion of the model, i.e., previously defended or correctly classified samples are not defensible or accurately classifiable in subsequent adversarial training. We characterize such non-ignorable samples as "hiders", which reveal the hidden high-risk regions within the secure area obtained through adversarial training and prevent the model from finding the real worst cases. We demand the model to prevent hiders when defending against adversarial examples for improving accuracy and robustness simultaneously. By rethinking and redefining the min-max optimization problem for adversarial training, we propose a generalized adversarial training algorithm called Hider-Focused Adversarial Training (HFAT). HFAT introduces the iterative evolution optimization strategy to simplify the optimization problem and employs an auxiliary model to reveal hiders, effectively combining the optimization directions of standard adversarial training and prevention hiders. Furthermore, we introduce an adaptive weighting mechanism that facilitates the model in adaptively adjusting its focus between adversarial examples and hiders during different training periods. We demonstrate the effectiveness of our method based on extensive experiments, and ensure that HFAT can provide higher robustness and accuracy.

In this paper, we explore the challenges inherent to Large Language Models (LLMs) like GPT-4, particularly their propensity for hallucinations, logic mistakes, and incorrect conclusions when tasked with answering complex questions. The capacity of LLMs to present erroneous answers in a coherent and semantically rigorous manner further complicates the detection of factual inaccuracies. This issue is especially pronounced in fields that require specialized expertise. Our work delves into these challenges, aiming to enhance the understanding and mitigation of such errors, thereby contributing to the improvement of LLM accuracy and reliability in scientific and other specialized domains. Our findings reveal a non-linear relationship between the context's relevancy and the answers' measured quality. In addition, we demonstrate that with the correct calibration, it is possible to automate the grading procedure -- a finding suggesting that, at least to some degree, the LLMs can be used to self-examine the quality of their own performance. Finally, we describe an experimental platform that can be seen as a proof-of-concept of the techniques described in this work.

Recent progress in large language models (LLMs) has demonstrated the ability to learn and leverage Internet-scale knowledge through pre-training with autoregressive models. Unfortunately, applying such models to settings with embodied agents, such as robots, is challenging due to their lack of experience with the physical world, inability to parse non-language observations, and ignorance of rewards or safety constraints that robots may require. On the other hand, language-conditioned robotic policies that learn from interaction data can provide the necessary grounding that allows the agent to be correctly situated in the real world, but such policies are limited by the lack of high-level semantic understanding due to the limited breadth of the interaction data available for training them. Thus, if we want to make use of the semantic knowledge in a language model while still situating it in an embodied setting, we must construct an action sequence that is both likely according to the language model and also realizable according to grounded models of the environment. We frame this as a problem similar to probabilistic filtering: decode a sequence that both has high probability under the language model and high probability under a set of grounded model objectives. We demonstrate how such grounded models can be obtained across three simulation and real-world domains, and that the proposed decoding strategy is able to solve complex, long-horizon embodiment tasks in a robotic setting by leveraging the knowledge of both models. The project's website can be found at grounded-decoding.github.io.

Medical imaging has revolutionized disease diagnosis, yet the potential is hampered by limited access to diverse and privacy-conscious datasets. Open-source medical datasets, while valuable, suffer from data quality and clinical information disparities. Generative models, such as diffusion models, aim to mitigate these challenges. At Stanford, researchers explored the utility of a fine-tuned Stable Diffusion model (RoentGen) for medical imaging data augmentation. Our work examines specific considerations to expand the Stanford research question, Could Stable Diffusion Solve a Gap in Medical Imaging Data? from the lens of bias and validity of the generated outcomes. We leveraged RoentGen to produce synthetic Chest-XRay (CXR) images and conducted assessments on bias, validity, and hallucinations. Diagnostic accuracy was evaluated by a disease classifier, while a COVID classifier uncovered latent hallucinations. The bias analysis unveiled disparities in classification performance among various subgroups, with a pronounced impact on the Female Hispanic subgroup. Furthermore, incorporating race and gender into input prompts exacerbated fairness issues in the generated images. The quality of synthetic images exhibited variability, particularly in certain disease classes, where there was more significant uncertainty compared to the original images. Additionally, we observed latent hallucinations, with approximately 42% of the images incorrectly indicating COVID, hinting at the presence of hallucinatory elements. These identifications provide new research directions towards interpretability of synthetic CXR images, for further understanding of associated risks and patient safety in medical applications.

Recent self-supervised advances in medical computer vision exploit global and local anatomical self-similarity for pretraining prior to downstream tasks such as segmentation. However, current methods assume i.i.d. image acquisition, which is invalid in clinical study designs where follow-up longitudinal scans track subject-specific temporal changes. Further, existing self-supervised methods for medically-relevant image-to-image architectures exploit only spatial or temporal self-similarity and only do so via a loss applied at a single image-scale, with naive multi-scale spatiotemporal extensions collapsing to degenerate solutions. To these ends, this paper makes two contributions: (1) It presents a local and multi-scale spatiotemporal representation learning method for image-to-image architectures trained on longitudinal images. It exploits the spatiotemporal self-similarity of learned multi-scale intra-subject features for pretraining and develops several feature-wise regularizations that avoid collapsed identity representations; (2) During finetuning, it proposes a surprisingly simple self-supervised segmentation consistency regularization to exploit intra-subject correlation. Benchmarked in the one-shot segmentation setting, the proposed framework outperforms both well-tuned randomly-initialized baselines and current self-supervised techniques designed for both i.i.d. and longitudinal datasets. These improvements are demonstrated across both longitudinal neurodegenerative adult MRI and developing infant brain MRI and yield both higher performance and longitudinal consistency.

By routing input tokens to only a few split experts, Sparse Mixture-of-Experts has enabled efficient training of large language models. Recent findings suggest that fixing the routers can achieve competitive performance by alleviating the collapsing problem, where all experts eventually learn similar representations. However, this strategy has two key limitations: (i) the policy derived from random routers might be sub-optimal, and (ii) it requires extensive resources during training and evaluation, leading to limited efficiency gains. This work introduces \HyperRout, which dynamically generates the router's parameters through a fixed hypernetwork and trainable embeddings to achieve a balance between training the routers and freezing them to learn an improved routing policy. Extensive experiments across a wide range of tasks demonstrate the superior performance and efficiency gains of \HyperRouter compared to existing routing methods. Our implementation is publicly available at {\url{{https://github.com/giangdip2410/HyperRouter}}}.

Explainability and Safety engender Trust. These require a model to exhibit consistency and reliability. To achieve these, it is necessary to use and analyze data and knowledge with statistical and symbolic AI methods relevant to the AI application - neither alone will do. Consequently, we argue and seek to demonstrate that the NeuroSymbolic AI approach is better suited for making AI a trusted AI system. We present the CREST framework that shows how Consistency, Reliability, user-level Explainability, and Safety are built on NeuroSymbolic methods that use data and knowledge to support requirements for critical applications such as health and well-being. This article focuses on Large Language Models (LLMs) as the chosen AI system within the CREST framework. LLMs have garnered substantial attention from researchers due to their versatility in handling a broad array of natural language processing (NLP) scenarios. For example, ChatGPT and Google's MedPaLM have emerged as highly promising platforms for providing information in general and health-related queries, respectively. Nevertheless, these models remain black boxes despite incorporating human feedback and instruction-guided tuning. For instance, ChatGPT can generate unsafe responses despite instituting safety guardrails. CREST presents a plausible approach harnessing procedural and graph-based knowledge within a NeuroSymbolic framework to shed light on the challenges associated with LLMs.

Solving transport problems, i.e. finding a map transporting one given distribution to another, has numerous applications in machine learning. Novel mass transport methods motivated by generative modeling have recently been proposed, e.g. Denoising Diffusion Models (DDMs) and Flow Matching Models (FMMs) implement such a transport through a Stochastic Differential Equation (SDE) or an Ordinary Differential Equation (ODE). However, while it is desirable in many applications to approximate the deterministic dynamic Optimal Transport (OT) map which admits attractive properties, DDMs and FMMs are not guaranteed to provide transports close to the OT map. In contrast, Schr\"odinger bridges (SBs) compute stochastic dynamic mappings which recover entropy-regularized versions of OT. Unfortunately, existing numerical methods approximating SBs either scale poorly with dimension or accumulate errors across iterations. In this work, we introduce Iterative Markovian Fitting (IMF), a new methodology for solving SB problems, and Diffusion Schr\"odinger Bridge Matching (DSBM), a novel numerical algorithm for computing IMF iterates. DSBM significantly improves over previous SB numerics and recovers as special/limiting cases various recent transport methods. We demonstrate the performance of DSBM on a variety of problems.

Graph neural networks (GNNs) have exhibited exceptional efficacy in a diverse array of applications. However, the sheer size of large-scale graphs presents a significant challenge to real-time inference with GNNs. Although existing Scalable GNNs leverage linear propagation to preprocess the features and accelerate the training and inference procedure, these methods still suffer from scalability issues when making inferences on unseen nodes, as the feature preprocessing requires the graph to be known and fixed. To further accelerate Scalable GNNs inference in this inductive setting, we propose an online propagation framework and two novel node-adaptive propagation methods that can customize the optimal propagation depth for each node based on its topological information and thereby avoid redundant feature propagation. The trade-off between accuracy and latency can be flexibly managed through simple hyper-parameters to accommodate various latency constraints. Moreover, to compensate for the inference accuracy loss caused by the potential early termination of propagation, we further propose Inception Distillation to exploit the multi-scale receptive field information within graphs. The rigorous and comprehensive experimental study on public datasets with varying scales and characteristics demonstrates that the proposed inference acceleration framework outperforms existing state-of-the-art graph inference acceleration methods in terms of accuracy and efficiency. Particularly, the superiority of our approach is notable on datasets with larger scales, yielding a 75x inference speedup on the largest Ogbn-products dataset.

$\textbf{Background and aims}$: Artificial Intelligence (AI) Computer-Aided Detection (CADe) is commonly used for polyp detection, but data seen in clinical settings can differ from model training. Few studies evaluate how well CADe detectors perform on colonoscopies from countries not seen during training, and none are able to evaluate performance without collecting expensive and time-intensive labels. $\textbf{Methods}$: We trained a CADe polyp detector on Israeli colonoscopy videos (5004 videos, 1106 hours) and evaluated on Japanese videos (354 videos, 128 hours) by measuring the True Positive Rate (TPR) versus false alarms per minute (FAPM). We introduce a colonoscopy dissimilarity measure called "MAsked mediCal Embedding Distance" (MACE) to quantify differences between colonoscopies, without labels. We evaluated CADe on all Japan videos and on those with the highest MACE. $\textbf{Results}$: MACE correctly quantifies that narrow-band imaging (NBI) and chromoendoscopy (CE) frames are less similar to Israel data than Japan whitelight (bootstrapped z-test, |z| > 690, p 45.2, p 47.3, p < $10^{-8}$, $\delta$ = 1.5% for both). $\textbf{Conclusion}$: Differences that prevent CADe detectors from performing well in non-medical settings do not degrade the performance of our AI CADe polyp detector when applied to data from a new country. MACE can help medical AI models internationalize by identifying the most "dissimilar" data on which to evaluate models.  ( 3 min )

Conceptual and simulation models can function as useful pedagogical tools, however it is important to categorize different outcomes when evaluating them in order to more meaningfully interpret results. VERA is a ecology-based conceptual modeling software that enables users to simulate interactions between biotics and abiotics in an ecosystem, allowing users to form and then verify hypothesis through observing a time series of the species populations. In this paper, we classify this time series into common patterns found in the domain of ecological modeling through two methods, hierarchical clustering and curve fitting, illustrating a general methodology for showing content validity when combining different pedagogical tools. When applied to a diverse sample of 263 models containing 971 time series collected from three different VERA user categories: a Georgia Tech (GATECH), North Georgia Technical College (NGTC), and ``Self Directed Learners'', results showed agreement between both classification methods on 89.38\% of the sample curves in the test set. This serves as a good indication that our methodology for determining content validity was successful.  ( 2 min )

Few-shot image classification is the task of classifying unseen images to one of N mutually exclusive classes, using only a small number of training examples for each class. The limited availability of these examples (denoted as K) presents a significant challenge to classification accuracy in some cases. To address this, we have developed a method for augmenting the set of K with an addition set of A retrieved images. We call this system Retrieval-Augmented Few-shot Image Classification (RAFIC). Through a series of experiments, we demonstrate that RAFIC markedly improves performance of few-shot image classification across two challenging datasets. RAFIC consists of two main components: (a) a retrieval component which uses CLIP, LAION-5B, and faiss, in order to efficiently retrieve images similar to the supplied images, and (b) retrieval meta-learning, which learns to judiciously utilize the retrieved images. Code and data is available at github.com/amirziai/rafic.  ( 2 min )

We present ELSA, a practical solution for creating deep networks that can easily be deployed at different levels of sparsity. The core idea is to embed one or more sparse networks within a single dense network as a proper subset of the weights. At prediction time, any sparse model can be extracted effortlessly simply be zeroing out weights according to a predefined mask. ELSA is simple, powerful and highly flexible. It can use essentially any existing technique for network sparsification and network training. In particular, it does not restrict the loss function, architecture or the optimization technique. Our experiments show that ELSA's advantages of flexible deployment comes with no or just a negligible reduction in prediction quality compared to the standard way of using multiple sparse networks that are trained and stored independently.  ( 2 min )

This paper presents a novel methodology for improving the performance of machine learning based space traffic management tasks through the use of a pre-trained orbit model. Taking inspiration from BERT-like self-supervised language models in the field of natural language processing, we introduce ORBERT, and demonstrate the ability of such a model to leverage large quantities of readily available orbit data to learn meaningful representations that can be used to aid in downstream tasks. As a proof of concept of this approach we consider the task of all vs. all conjunction screening, phrased here as a machine learning time series classification task. We show that leveraging unlabelled orbit data leads to improved performance, and that the proposed approach can be particularly beneficial for tasks where the availability of labelled data is limited.  ( 2 min )

Within the intensive care unit (ICU), a wealth of patient data, including clinical measurements and clinical notes, is readily available. This data is a valuable resource for comprehending patient health and informing medical decisions, but it also contains many challenges in analysis. Deep learning models show promise in extracting meaningful patterns, but they require extensive labeled data, a challenge in critical care. To address this, we propose a novel approach employing self-supervised pretraining, focusing on the alignment of clinical measurements and notes. Our approach combines contrastive and masked token prediction tasks during pretraining. Semi-supervised experiments on the MIMIC-III dataset demonstrate the effectiveness of our self-supervised pretraining. In downstream tasks, including in-hospital mortality prediction and phenotyping, our pretrained model outperforms baselines in settings where only a fraction of the data is labeled, emphasizing its ability to enhance ICU data analysis. Notably, our method excels in situations where very few labels are available, as evidenced by an increase in the AUC-ROC for in-hospital mortality by 0.17 and in AUC-PR for phenotyping by 0.1 when only 1% of labels are accessible. This work advances self-supervised learning in the healthcare domain, optimizing clinical insights from abundant yet challenging ICU data.  ( 2 min )

This paper tackles the intricate challenge of improving the quality of nighttime images under hazy and low-light conditions. Overcoming issues including nonuniform illumination glows, texture blurring, glow effects, color distortion, noise disturbance, and overall, low light have proven daunting. Despite the inherent difficulties, this paper introduces a pioneering solution named Nighttime Dehazing, Low-Light Enhancement, and Light Suppression (NDELS). NDELS utilizes a unique network that combines three essential processes to enhance visibility, brighten low-light regions, and effectively suppress glare from bright light sources. In contrast to limited progress in nighttime dehazing, unlike its daytime counterpart, NDELS presents a comprehensive and innovative approach. The efficacy of NDELS is rigorously validated through extensive comparisons with eight state-of-the-art algorithms across four diverse datasets. Experimental results showcase the superior performance of our method, demonstrating its outperformance in terms of overall image quality, including color and edge enhancement. Quantitative (PSNR, SSIM) and qualitative metrics (CLIPIQA, MANIQA, TRES), measure these results.  ( 2 min )

Microsoft Windows Feedback Hub is designed to receive customer feedback on a wide variety of subjects including critical topics such as power and battery. Feedback is one of the most effective ways to have a grasp of users' experience with Windows and its ecosystem. However, the sheer volume of feedback received by Feedback Hub makes it immensely challenging to diagnose the actual cause of reported issues. To better understand and triage issues, we leverage Double Machine Learning (DML) to associate users' feedback with telemetry signals. One of the main challenges we face in the DML pipeline is the necessity of domain knowledge for model design (e.g., causal graph), which sometimes is either not available or hard to obtain. In this work, we take advantage of reasoning capabilities in Large Language Models (LLMs) to generate a prior model that which to some extent compensates for the lack of domain knowledge and could be used as a heuristic for measuring feedback informativeness. Our LLM-based approach is able to extract previously known issues, uncover new bugs, and identify sequences of events that lead to a bug, while minimizing out-of-domain outputs.  ( 2 min )

The rapid development of AI systems has been greatly influenced by the emergence of foundation models. A common approach for targeted problems involves fine-tuning these pre-trained foundation models for specific target tasks, resulting in a rapid spread of models fine-tuned across a diverse array of tasks. This work focuses on the problem of merging multiple fine-tunings of the same foundation model derived from a spectrum of auxiliary tasks. We introduce a new simple method, Model Breadcrumbs, which consists of a sparsely defined set of weights that carve out a trajectory within the weight space of a pre-trained model, enhancing task performance when traversed. These breadcrumbs are constructed by subtracting the weights from a pre-trained model before and after fine-tuning, followed by a sparsification process that eliminates weight outliers and negligible perturbations. Our experiments demonstrate the effectiveness of Model Breadcrumbs to simultaneously improve performance across multiple tasks. This contribution aligns with the evolving paradigm of updatable machine learning, reminiscent of the collaborative principles underlying open-source software development, fostering a community-driven effort to reliably update machine learning models. Our method is shown to be more efficient and unlike previous proposals does not require hyperparameter tuning for each new task added. Through extensive experimentation involving various models, tasks, and modalities we establish that integrating Model Breadcrumbs offers a simple, efficient, and highly effective approach for constructing multi-task models and facilitating updates to foundation models.  ( 2 min )

Gaussian Processes (GPs) are a versatile method that enables different approaches towards learning for dynamics and control. Gaussianity assumptions appear in two dimensions in GPs: The positive semi-definite kernel of the underlying reproducing kernel Hilbert space is used to construct the co-variance of a Gaussian distribution over functions, while measurement noise (i.e. data corruption) is usually modeled as i.i.d. additive Gaussian. In this note, we relax the latter Gaussianity assumption, i.e., we consider kernel ridge regression with additive i.i.d. non-Gaussian measurement noise. To apply the usual kernel trick, we rely on the representation of the uncertainty via polynomial chaos expansions, which are series expansions for random variables of finite variance introduced by Norbert Wiener. We derive and discuss the analytic $\mathcal{L}^2$ solution to the arising Wiener kernel regression. Considering a polynomial system as numerical example, we show that our approach allows to untangle the effects of epistemic and aleatoric uncertainties.

In domain adaptation, covariate shift and label shift problems are two distinct and complementary tasks. In covariate shift adaptation where the differences in data distribution arise from variations in feature probabilities, existing approaches naturally address this problem based on \textit{feature probability matching} (\textit{FPM}). However, for label shift adaptation where the differences in data distribution stem solely from variations in class probability, current methods still use FPM on the $d$-dimensional feature space to estimate the class probability ratio on the one-dimensional label space. To address label shift adaptation more naturally and effectively, inspired by a new representation of the source domain's class probability, we propose a new framework called \textit{class probability matching} (\textit{CPM}) which matches two class probability functions on the one-dimensional label space to estimate the class probability ratio, fundamentally different from FPM operating on the $d$-dimensional feature space. Furthermore, by incorporating the kernel logistic regression into the CPM framework to estimate the conditional probability, we propose an algorithm called \textit{class probability matching using kernel methods} (\textit{CPMKM}) for label shift adaptation. From the theoretical perspective, we establish the optimal convergence rates of CPMKM with respect to the cross-entropy loss for multi-class label shift adaptation. From the experimental perspective, comparisons on real datasets demonstrate that CPMKM outperforms existing FPM-based and maximum-likelihood-based algorithms.

Estimating the ratio of two probability densities from finitely many observations of the densities is a central problem in machine learning and statistics with applications in two-sample testing, divergence estimation, generative modeling, covariate shift adaptation, conditional density estimation, and novelty detection. In this work, we analyze a large class of density ratio estimation methods that minimize a regularized Bregman divergence between the true density ratio and a model in a reproducing kernel Hilbert space (RKHS). We derive new finite-sample error bounds, and we propose a Lepskii type parameter choice principle that minimizes the bounds without knowledge of the regularity of the density ratio. In the special case of quadratic loss, our method adaptively achieves a minimax optimal error rate. A numerical illustration is provided.

A crucial problem in reinforcement learning is learning the optimal policy. We study this in tabular infinite-horizon discounted Markov decision processes under the online setting. The existing algorithms either fail to achieve regret optimality or have to incur a high memory and computational cost. In addition, existing optimal algorithms all require a long burn-in time in order to achieve optimal sample efficiency, i.e., their optimality is not guaranteed unless sample size surpasses a high threshold. We address both open problems by introducing a model-free algorithm that employs variance reduction and a novel technique that switches the execution policy in a slow-yet-adaptive manner. This is the first regret-optimal model-free algorithm in the discounted setting, with the additional benefit of a low burn-in time.

Large learning rates, when applied to gradient descent for nonconvex optimization, yield various implicit biases including the edge of stability (Cohen et al., 2021), balancing (Wang et al., 2022), and catapult (Lewkowycz et al., 2020). These phenomena cannot be well explained by classical optimization theory. Though significant theoretical progress has been made in understanding these implicit biases, it remains unclear for which objective functions would they be more likely. This paper provides an initial step in answering this question and also shows that these implicit biases are in fact various tips of the same iceberg. To establish these results, we develop a global convergence theory under large learning rates, for a family of nonconvex functions without globally Lipschitz continuous gradient, which was typically assumed in existing convergence analysis. Specifically, these phenomena are more likely to occur when the optimization objective function has good regularity. This regularity, together with gradient descent using a large learning rate that favors flatter regions, results in these nontrivial dynamical behaviors. Another corollary is the first non-asymptotic convergence rate bound for large-learning-rate gradient descent optimization of nonconvex functions. Although our theory only applies to specific functions so far, the possibility of extrapolating it to neural networks is also experimentally validated, for which different choices of loss, activation functions, and other techniques such as batch normalization can all affect regularity significantly and lead to very different training dynamics.

The multi-armed bandit(MAB) is a classical sequential decision problem. Most work requires assumptions about the reward distribution (e.g., bounded), while practitioners may have difficulty obtaining information about these distributions to design models for their problems, especially in non-stationary MAB problems. This paper aims to design a multi-armed bandit algorithm that can be implemented without using information about the reward distribution while still achieving substantial regret upper bounds. To this end, we propose a novel algorithm alternating between greedy rule and forced exploration. Our method can be applied to Gaussian, Bernoulli and other subgaussian distributions, and its implementation does not require additional information. We employ a unified analysis method for different forced exploration strategies and provide problem-dependent regret upper bounds for stationary and piecewise-stationary settings. Furthermore, we compare our algorithm with popular bandit algorithms on different reward distributions.

We propose the Gaussian-Linear Hidden Markov model (GLHMM), a generalisation of different types of HMMs commonly used in neuroscience. In short, the GLHMM is a general framework where linear regression is used to flexibly parameterise the Gaussian state distribution, thereby accommodating a wide range of uses -including unsupervised, encoding and decoding models. GLHMM is implemented as a Python toolbox with an emphasis on statistical testing and out-of-sample prediction -i.e. aimed at finding and characterising brain-behaviour associations. The toolbox uses a stochastic variational inference approach, enabling it to handle large data sets at reasonable computational time. Overall, the approach can be applied to several data modalities, including animal recordings or non-brain data, and applied over a broad range of experimental paradigms. For demonstration, we show examples with fMRI, electrocorticography, magnetoencephalo-graphy and pupillometry.

Gamma-Phi losses constitute a family of multiclass classification loss functions that generalize the logistic and other common losses, and have found application in the boosting literature. We establish the first general sufficient condition for the classification-calibration (CC) of such losses. To our knowledge, this sufficient condition gives the first family of nonconvex multiclass surrogate losses for which CC has been fully justified. In addition, we show that a previously proposed sufficient condition is in fact not sufficient. This contribution highlights a technical issue that is important in the study of multiclass CC but has been neglected in prior work.

Patterns of wins and losses in pairwise contests, such as occur in sports and games, consumer research and paired comparison studies, and human and animal social hierarchies, are commonly analyzed using probabilistic models that allow one to quantify the strength of competitors or predict the outcome of future contests. Here we generalize this approach to incorporate two additional features: an element of randomness or luck that leads to upset wins, and a "depth of competition" variable that measures the complexity of a game or hierarchy. Fitting the resulting model to a large collection of data sets we estimate depth and luck in a range of games, sports, and social situations. In general, we find that social competition tends to be "deep," meaning it has a pronounced hierarchy with many distinct levels, but also that there is often a nonzero chance of an upset victory, meaning that dominance challenges can be won even by significant underdogs. Competition in sports and games, by contrast, tends to be shallow and in most cases there is little evidence of upset wins, beyond those already implied by the shallowness of the hierarchy.

We address the consistency of a kernel ridge regression estimate of the conditional mean embedding (CME), which is an embedding of the conditional distribution of $Y$ given $X$ into a target reproducing kernel Hilbert space $\mathcal{H}_Y$. The CME allows us to take conditional expectations of target RKHS functions, and has been employed in nonparametric causal and Bayesian inference. We address the misspecified setting, where the target CME is in the space of Hilbert-Schmidt operators acting from an input interpolation space between $\mathcal{H}_X$ and $L_2$, to $\mathcal{H}_Y$. This space of operators is shown to be isomorphic to a newly defined vector-valued interpolation space. Using this isomorphism, we derive a novel and adaptive statistical learning rate for the empirical CME estimator under the misspecified setting. Our analysis reveals that our rates match the optimal $O(\log n / n)$ rates without assuming $\mathcal{H}_Y$ to be finite dimensional. We further establish a lower bound on the learning rate, which shows that the obtained upper bound is optimal.

In spatial statistics, fast and accurate parameter estimation, coupled with a reliable means of uncertainty quantification, can be challenging when fitting a spatial process to real-world data because the likelihood function might be slow to evaluate or wholly intractable. In this work, we propose using convolutional neural networks to learn the likelihood function of a spatial process. Through a specifically designed classification task, our neural network implicitly learns the likelihood function, even in situations where the exact likelihood is not explicitly available. Once trained on the classification task, our neural network is calibrated using Platt scaling which improves the accuracy of the neural likelihood surfaces. To demonstrate our approach, we compare neural likelihood surfaces and the resulting maximum likelihood estimates and approximate confidence regions with the equivalent for exact or approximate likelihood for two different spatial processes: a Gaussian process and a Brown-Resnick process which have computationally intensive and intractable likelihoods, respectively. We conclude that our method provides fast and accurate parameter estimation with a reliable method of uncertainty quantification in situations where standard methods are either undesirably slow or inaccurate. The method is applicable to any spatial process on a grid from which fast simulations are available.  ( 2 min )

We propose a novel algorithmic framework for distributional reinforcement learning, based on learning finite-dimensional mean embeddings of return distributions. We derive several new algorithms for dynamic programming and temporal-difference learning based on this framework, provide asymptotic convergence theory, and examine the empirical performance of the algorithms on a suite of tabular tasks. Further, we show that this approach can be straightforwardly combined with deep reinforcement learning, and obtain a new deep RL agent that improves over baseline distributional approaches on the Arcade Learning Environment.  ( 2 min )

Variational autoencoders (VAEs) are one class of generative probabilistic latent-variable models designed for inference based on known data. They balance reconstruction and regularizer terms. A variational approximation produces an evidence lower bound (ELBO). Multiplying the regularizer term by beta provides a beta-VAE/ELBO, improving disentanglement of the latent space. However, any beta value different than unity violates the laws of conditional probability. To provide a similarly-parameterized VAE, we develop a Renyi (versus Shannon) entropy VAE, and a variational approximation RELBO that introduces a similar parameter. The Renyi VAE has an additional Renyi regularizer-like term with a conditional distribution that is not learned. The term is evaluated essentially analytically using a Singular Value Decomposition method.  ( 2 min )

The multivariate generalized Gaussian distribution (MGGD), also known as the multivariate exponential power (MEP) distribution, is widely used in signal and image processing. However, estimating MGGD parameters, which is required in practical applications, still faces specific theoretical challenges. In particular, establishing convergence properties for the standard fixed-point approach when both the distribution mean and the scatter (or the precision) matrix are unknown is still an open problem. In robust estimation, imposing classical constraints on the precision matrix, such as sparsity, has been limited by the non-convexity of the resulting cost function. This paper tackles these issues from an optimization viewpoint by proposing a convex formulation with well-established convergence properties. We embed our analysis in a noisy scenario where robustness is induced by modelling multiplicative perturbations. The resulting framework is flexible as it combines a variety of regularizations for the precision matrix, the mean and model perturbations. This paper presents proof of the desired theoretical properties, specifies the conditions preserving these properties for different regularization choices and designs a general proximal primal-dual optimization strategy. The experiments show a more accurate precision and covariance matrix estimation with similar performance for the mean vector parameter compared to Tyler's M-estimator. In a high-dimensional setting, the proposed method outperforms the classical GLASSO, one of its robust extensions, and the regularized Tyler's estimator.  ( 2 min )

In this paper, we introduce a novel analysis of neural networks based on geometric (Clifford) algebra and convex optimization. We show that optimal weights of deep ReLU neural networks are given by the wedge product of training samples when trained with standard regularized loss. Furthermore, the training problem reduces to convex optimization over wedge product features, which encode the geometric structure of the training dataset. This structure is given in terms of signed volumes of triangles and parallelotopes generated by data vectors. The convex problem finds a small subset of samples via $\ell_1$ regularization to discover only relevant wedge product features. Our analysis provides a novel perspective on the inner workings of deep neural networks and sheds light on the role of the hidden layers.  ( 2 min )

In this paper, we study the mistake bound of online kernel learning on a budget. We propose a new budgeted online kernel learning model, called Ahpatron, which significantly improves the mistake bound of previous work and resolves the open problem posed by Dekel, Shalev-Shwartz, and Singer (2005). We first present an aggressive variant of Perceptron, named AVP, a model without budget, which uses an active updating rule. Then we design a new budget maintenance mechanism, which removes a half of examples,and projects the removed examples onto a hypothesis space spanned by the remaining examples. Ahpatron adopts the above mechanism to approximate AVP. Theoretical analyses prove that Ahpatron has tighter mistake bounds, and experimental results show that Ahpatron outperforms the state-of-the-art algorithms on the same or a smaller budget.  ( 2 min )

The low-level spatial detail information and high-level semantic abstract information are both essential to the semantic segmentation task. The features extracted by the deep network can obtain rich semantic information, while a lot of spatial information is lost. However, how to recover spatial detail information effectively and fuse it with high-level semantics has not been well addressed so far. In this paper, we propose a new architecture based on Bilateral Segmentation Network (BiseNet) called Multi-scale Covariance Feature Fusion Network (MCFNet). Specifically, this network introduces a new feature refinement module and a new feature fusion module. Furthermore, a gating unit named L-Gate is proposed to filter out invalid information and fuse multi-scale features. We evaluate our proposed model on Cityscapes, CamVid datasets and compare it with the state-of-the-art methods. Extensive experiments show that our method achieves competitive success. On Cityscapes, we achieve 75.5% mIOU with a speed of 151.3 FPS.  ( 2 min )

Solving transport problems, i.e. finding a map transporting one given distribution to another, has numerous applications in machine learning. Novel mass transport methods motivated by generative modeling have recently been proposed, e.g. Denoising Diffusion Models (DDMs) and Flow Matching Models (FMMs) implement such a transport through a Stochastic Differential Equation (SDE) or an Ordinary Differential Equation (ODE). However, while it is desirable in many applications to approximate the deterministic dynamic Optimal Transport (OT) map which admits attractive properties, DDMs and FMMs are not guaranteed to provide transports close to the OT map. In contrast, Schr\"odinger bridges (SBs) compute stochastic dynamic mappings which recover entropy-regularized versions of OT. Unfortunately, existing numerical methods approximating SBs either scale poorly with dimension or accumulate errors across iterations. In this work, we introduce Iterative Markovian Fitting (IMF), a new methodology for solving SB problems, and Diffusion Schr\"odinger Bridge Matching (DSBM), a novel numerical algorithm for computing IMF iterates. DSBM significantly improves over previous SB numerics and recovers as special/limiting cases various recent transport methods. We demonstrate the performance of DSBM on a variety of problems.  ( 2 min )

Transformers are a class of autoregressive deep learning architectures which have recently achieved state-of-the-art performance in various vision, language, and robotics tasks. We revisit the problem of Kalman Filtering in linear dynamical systems and show that Transformers can approximate the Kalman Filter in a strong sense. Specifically, for any observable LTI system we construct an explicit causally-masked Transformer which implements the Kalman Filter, up to a small additive error which is bounded uniformly in time; we call our construction the Transformer Filter. Our construction is based on a two-step reduction. We first show that a softmax self-attention block can exactly represent a certain Gaussian kernel smoothing estimator. We then show that this estimator closely approximates the Kalman Filter. We also investigate how the Transformer Filter can be used for measurement-feedback control and prove that the resulting nonlinear controllers closely approximate the performance of standard optimal control policies such as the LQG controller.  ( 2 min )

Currently, applying diffusion models in pixel space of high resolution images is difficult. Instead, existing approaches focus on diffusion in lower dimensional spaces (latent diffusion), or have multiple super-resolution levels of generation referred to as cascades. The downside is that these approaches add additional complexity to the diffusion framework. This paper aims to improve denoising diffusion for high resolution images while keeping the model as simple as possible. The paper is centered around the research question: How can one train a standard denoising diffusion models on high resolution images, and still obtain performance comparable to these alternate approaches? The four main findings are: 1) the noise schedule should be adjusted for high resolution images, 2) It is sufficient to scale only a particular part of the architecture, 3) dropout should be added at specific locations in the architecture, and 4) downsampling is an effective strategy to avoid high resolution feature maps. Combining these simple yet effective techniques, we achieve state-of-the-art on image generation among diffusion models without sampling modifiers on ImageNet.  ( 2 min )

Recent works have shown a reduction from contextual bandits to online regression under a realizability assumption [Foster and Rakhlin, 2020, Foster and Krishnamurthy, 2021]. In this work, we investigate the use of neural networks for such online regression and associated Neural Contextual Bandits (NeuCBs). Using existing results for wide networks, one can readily show a ${\mathcal{O}}(\sqrt{T})$ regret for online regression with square loss, which via the reduction implies a ${\mathcal{O}}(\sqrt{K} T^{3/4})$ regret for NeuCBs. Departing from this standard approach, we first show a $\mathcal{O}(\log T)$ regret for online regression with almost convex losses that satisfy QG (Quadratic Growth) condition, a generalization of the PL (Polyak-\L ojasiewicz) condition, and that have a unique minima. Although not directly applicable to wide networks since they do not have unique minima, we show that adding a suitable small random perturbation to the network predictions surprisingly makes the loss satisfy QG with unique minima. Based on such a perturbed prediction, we show a ${\mathcal{O}}(\log T)$ regret for online regression with both squared loss and KL loss, and subsequently convert these respectively to $\tilde{\mathcal{O}}(\sqrt{KT})$ and $\tilde{\mathcal{O}}(\sqrt{KL^*} + K)$ regret for NeuCB, where $L^*$ is the loss of the best policy. Separately, we also show that existing regret bounds for NeuCBs are $\Omega(T)$ or assume i.i.d. contexts, unlike this work. Finally, our experimental results on various datasets demonstrate that our algorithms, especially the one based on KL loss, persistently outperform existing algorithms.  ( 2 min )

This study explores the robustness of label noise classifiers, aiming to enhance model resilience against noisy data in complex real-world scenarios. Label noise in supervised learning, characterized by erroneous or imprecise labels, significantly impairs model performance. This research focuses on the increasingly pertinent issue of label noise's impact on practical applications. Addressing the prevalent challenge of inaccurate training data labels, we integrate adversarial machine learning (AML) and importance reweighting techniques. Our approach involves employing convolutional neural networks (CNN) as the foundational model, with an emphasis on parameter adjustment for individual training samples. This strategy is designed to heighten the model's focus on samples critically influencing performance.  ( 2 min )

Leveraging machine-learning methods to predict outcomes on some unlabeled datasets and then using these pseudo-outcomes in subsequent statistical inference is common in modern data analysis. Inference in this setting is often called post-prediction inference. We propose a novel, assumption-lean framework for inference under post-prediction setting, called \emph{Prediction De-Correlated inference} (PDC). Our approach can automatically adapt to any black-box machine-learning model and consistently outperforms supervised methods. The PDC framework also offers easy extensibility for accommodating multiple predictive models. Both numerical results and real-world data analysis support our theoretical results.  ( 2 min )

We present the first optimal rates for infinite-dimensional vector-valued ridge regression on a continuous scale of norms that interpolate between $L_2$ and the hypothesis space, which we consider as a vector-valued reproducing kernel Hilbert space. These rates allow to treat the misspecified case in which the true regression function is not contained in the hypothesis space. We combine standard assumptions on the capacity of the hypothesis space with a novel tensor product construction of vector-valued interpolation spaces in order to characterize the smoothness of the regression function. Our upper bound not only attains the same rate as real-valued kernel ridge regression, but also removes the assumption that the target regression function is bounded. For the lower bound, we reduce the problem to the scalar setting using a projection argument. We show that these rates are optimal in most cases and independent of the dimension of the output space. We illustrate our results for the special case of vector-valued Sobolev spaces.  ( 2 min )

Inhomogeneities in real-world data, e.g., due to changes in the observation noise level or variations in the structural complexity of the source function, pose a unique set of challenges for statistical inference. Accounting for them can greatly improve predictive power when physical resources or computation time is limited. In this paper, we draw on recent theoretical results on the estimation of local function complexity (LFC), derived from the domain of local polynomial smoothing (LPS), to establish a notion of local structural complexity, which is used to develop a model-agnostic active learning (AL) framework. Due to its reliance on pointwise estimates, the LPS model class is not robust and scalable concerning large input space dimensions that typically come along with real-world problems. Here, we derive and estimate the Gaussian process regression (GPR)-based analog of the LPS-based LFC and use it as a substitute in the above framework to make it robust and scalable. We assess the effectiveness of our LFC estimate in an AL application on a prototypical low-dimensional synthetic dataset, before taking on the challenging real-world task of reconstructing a quantum chemical force field for a small organic molecule and demonstrating state-of-the-art performance with a significantly reduced training demand.  ( 3 min )

Optimization is an integral part of modern deep learning. Recently, the concept of learned optimizers has emerged as a way to accelerate this optimization process by replacing traditional, hand-crafted algorithms with meta-learned functions. Despite the initial promising results of these methods, issues with stability and generalization still remain, limiting their practical use. Moreover, their inner workings and behavior under different conditions are not yet fully understood, making it difficult to come up with improvements. For this reason, our work examines their optimization trajectories from the perspective of network architecture symmetries and parameter update distributions. Furthermore, by contrasting the learned optimizers with their manually designed counterparts, we identify several key insights that demonstrate how each approach can benefit from the strengths of the other.  ( 2 min )

Bayesian optimization is a coherent, ubiquitous approach to decision-making under uncertainty, with applications including multi-arm bandits, active learning, and black-box optimization. Bayesian optimization selects decisions (i.e. objective function queries) with maximal expected utility with respect to the posterior distribution of a Bayesian model, which quantifies reducible, epistemic uncertainty about query outcomes. In practice, subjectively implausible outcomes can occur regularly for two reasons: 1) model misspecification and 2) covariate shift. Conformal prediction is an uncertainty quantification method with coverage guarantees even for misspecified models and a simple mechanism to correct for covariate shift. We propose conformal Bayesian optimization, which directs queries towards regions of search space where the model predictions have guaranteed validity, and investigate its behavior on a suite of black-box optimization tasks and tabular ranking tasks. In many cases we find that query coverage can be significantly improved without harming sample-efficiency.  ( 2 min )

Bayesian optimization has become a powerful tool for safe online optimization of systems, due to its high sample efficiency and noise robustness. For further speed-up reduced physical models of the system can be incorporated into the optimization to accelerate the process, since the models are able to offer an approximation of the actual system, and sampling from them is significantly cheaper. The similarity between model and reality is represented by additional hyperparameters and learned within the optimization process. Safety is an important criteria for online optimization methods like Bayesian optimization, which has been addressed by recent literature, which provide safety guarantees under the assumption of known hyperparameters. However, in practice this is not applicable. Therefore, we extend the robust Gaussian process uniform error bounds to meet the multi-task setting, which involves the calculation of a confidence region from the hyperparameter posterior distribution utilizing Markov chain Monte Carlo methods. Then, using the robust safety bounds, Bayesian optimization is applied to safely optimize the system while incorporating measurements of the models. Simulations show that the optimization can be significantly accelerated compared to other state-of-the-art safe Bayesian optimization methods depending on the fidelity of the models.  ( 2 min )

In this paper, we provide novel tail bounds on the optimization error of Stochastic Mirror Descent for convex and Lipschitz objectives. Our analysis extends the existing tail bounds from the classical light-tailed Sub-Gaussian noise case to heavier-tailed noise regimes. We study the optimization error of the last iterate as well as the average of the iterates. We instantiate our results in two important cases: a class of noise with exponential tails and one with polynomial tails. A remarkable feature of our results is that they do not require an upper bound on the diameter of the domain. Finally, we support our theory with illustrative experiments that compare the behavior of the average of the iterates with that of the last iterate in heavy-tailed noise regimes.  ( 2 min )

Explainability and uncertainty quantification are two pillars of trustable artificial intelligence. However, the reasoning behind uncertainty estimates is generally left unexplained. Identifying the drivers of uncertainty complements explanations of point predictions in recognizing potential model limitations. It facilitates the detection of oversimplification in the uncertainty estimation process. Explanations of uncertainty enhance communication and trust in decisions. They allow for verifying whether the main drivers of model uncertainty are relevant and may impact model usage. So far, the subject of explaining uncertainties has been rarely studied. The few exceptions in existing literature are tailored to Bayesian neural networks or rely heavily on technically intricate approaches, hindering their broad adoption. We propose variance feature attribution, a simple and scalable solution to explain predictive aleatoric uncertainties. First, we estimate uncertainty as predictive variance by equipping a neural network with a Gaussian output distribution by adding a variance output neuron. Thereby, we can rely on pre-trained point prediction models and fine-tune them for meaningful variance estimation. Second, we apply out-of-the-box explainers on the variance output of these models to explain the uncertainty estimation. We evaluate our approach in a synthetic setting where the data-generating process is known. We show that our method can explain uncertainty influences more reliably and faster than the established baseline CLUE. We fine-tune a state-of-the-art age regression model to estimate uncertainty and obtain attributions. Our explanations highlight potential sources of uncertainty, such as laugh lines. Variance feature attribution provides accurate explanations for uncertainty estimates with little modifications to the model architecture and low computational overhead.  ( 3 min )

The graduate students will aim to commercialize innovations in AI, machine learning, and data science.  ( 8 min )

Study shows computational models trained to perform auditory tasks display an internal organization similar to that of the human auditory cortex.  ( 9 min )

A new method enables optical devices that more closely match their design specifications, boosting accuracy and efficiency.  ( 10 min )

The Wild West had gunslingers, bank robberies and bounties — today’s digital frontier has identity theft, credit card fraud and chargebacks. Cashing in on financial fraud has become a multibillion-dollar criminal enterprise. And generative AI in the hands of fraudsters only promises to make this more profitable. Credit card losses worldwide are expected to reach Read article >  ( 9 min )

Zipline isn’t just some pie-in-the-sky drone startup. The San Francisco-based company has completed more than 800,000 deliveries in seven countries since its start in 2011. It recently added services for Seattle’s Pagliacci Pizza, vitamin and supplement giant GNC, and large health systems like Intermountain Health, OhioHealth and Michigan Medicine. Zipline developed its drones — which Read article >  ( 6 min )

Meeting notes are a crucial part of collaboration, yet they often fall through the cracks. Between leading discussions, listening closely, and typing notes, it’s easy for key information to slip away unrecorded. Even when notes are captured, they can be disorganized or illegible, rendering them useless. In this post, we explore how to use Amazon […]  ( 8 min )

In this post, we showcase fine-tuning a Llama 2 model using a Parameter-Efficient Fine-Tuning (PEFT) method and deploy the fine-tuned model on AWS Inferentia2. We use the AWS Neuron software development kit (SDK) to access the AWS Inferentia2 device and benefit from its high performance. We then use a large model inference container powered by […]  ( 10 min )

Machine learning (ML) models do not operate in isolation. To deliver value, they must integrate into existing production systems and infrastructure, which necessitates considering the entire ML lifecycle during design and development. ML operations, known as MLOps, focus on streamlining, automating, and monitoring ML models throughout their lifecycle. Building a robust MLOps pipeline demands cross-functional […]  ( 13 min )

The diff utility compares files by lines, which is often what you’d like it to do. But sometimes you’d like more granularity. For example, supposed we want to compare two versions of Psalm 23. Here are the first three verses in the King James version: The Lord is my shepherd; I shall not want. He […] Fine-grained file differences first appeared on John D. Cook.  ( 6 min )

Axel Springer is the first publishing house globally to partner with us on a deeper integration of journalism in AI technologies.  ( 2 min )

The study of biological materials and bio-inspired materials science is well established; however, surprisingly little knowledge has been systematically translated to engineering solutions. To accelerate discovery and guide insights, an open-source autoregressive transformer large language model (LLM), BioinspiredLLM, is reported. The model was finetuned with a corpus of over a thousand peer-reviewed articles in the field of structural biological and bio-inspired materials and can be prompted to recall information, assist with research tasks, and function as an engine for creativity. The model has proven that it is able to accurately recall information about biological materials and is further enhanced with enhanced reasoning ability, as well as with retrieval-augmented generation to incorporate new data during generation that can also help to traceback sources, update the knowledge base, and connect knowledge domains. BioinspiredLLM also has been shown to develop sound hypotheses regarding biological materials design and remarkably so for materials that have never been explicitly studied before. Lastly, the model showed impressive promise in collaborating with other generative artificial intelligence models in a workflow that can reshape the traditional materials design process. This collaborative generative artificial intelligence method can stimulate and enhance bio-inspired materials design workflows. Biological materials are at a critical intersection of multiple scientific fields and models like BioinspiredLLM help to connect knowledge domains.  ( 3 min )

In this work, we present Transformer-based Powered Descent Guidance (T-PDG), a scalable algorithm for reducing the computational complexity of the direct optimization formulation of the spacecraft powered descent guidance problem. T-PDG uses data from prior runs of trajectory optimization algorithms to train a transformer neural network, which accurately predicts the relationship between problem parameters and the globally optimal solution for the powered descent guidance problem. The solution is encoded as the set of tight constraints corresponding to the constrained minimum-cost trajectory and the optimal final time of landing. By leveraging the attention mechanism of transformer neural networks, large sequences of time series data can be accurately predicted when given only the spacecraft state and landing site parameters. When applied to the real problem of Mars powered descent guidance, T-PDG reduces the time for computing the 3 degree of freedom fuel-optimal trajectory, when compared to lossless convexification, from an order of 1-8 seconds to less than 500 milliseconds. A safe and optimal solution is guaranteed by including a feasibility check in T-PDG before returning the final trajectory.  ( 2 min )

We present a framework based on interval analysis and monotone systems theory to certify and search for forward invariant sets in nonlinear systems with neural network controllers. The framework (i) constructs localized first-order inclusion functions for the closed-loop system using Jacobian bounds and existing neural network verification tools; (ii) builds a dynamical embedding system where its evaluation along a single trajectory directly corresponds with a nested family of hyper-rectangles provably converging to an attractive set of the original system; (iii) utilizes linear transformations to build families of nested paralleletopes with the same properties. The framework is automated in Python using our interval analysis toolbox $\texttt{npinterval}$, in conjunction with the symbolic arithmetic toolbox $\texttt{sympy}$, demonstrated on an $8$-dimensional leader-follower system.  ( 2 min )

We introduce a curriculum learning algorithm, Variational Automatic Curriculum Learning (VACL), for solving challenging goal-conditioned cooperative multi-agent reinforcement learning problems. We motivate our paradigm through a variational perspective, where the learning objective can be decomposed into two terms: task learning on the current task distribution, and curriculum update to a new task distribution. Local optimization over the second term suggests that the curriculum should gradually expand the training tasks from easy to hard. Our VACL algorithm implements this variational paradigm with two practical components, task expansion and entity progression, which produces training curricula over both the task configurations as well as the number of entities in the task. Experiment results show that VACL solves a collection of sparse-reward problems with a large number of agents. Particularly, using a single desktop machine, VACL achieves 98% coverage rate with 100 agents in the simple-spread benchmark and reproduces the ramp-use behavior originally shown in OpenAI's hide-and-seek project. Our project website is at https://sites.google.com/view/vacl-neurips-2021.  ( 2 min )

Neural radiance fields (NeRFs) enable high-quality novel view synthesis, but their high computational complexity limits deployability. While existing neural-based solutions strive for efficiency, they use one-size-fits-all architectures regardless of scene complexity. The same architecture may be unnecessarily large for simple scenes but insufficient for complex ones. Thus, there is a need to dynamically optimize the neural network component of NeRFs to achieve a balance between computational complexity and specific targets for synthesis quality. We introduce NAS-NeRF, a generative neural architecture search strategy that generates compact, scene-specialized NeRF architectures by balancing architecture complexity and target synthesis quality metrics. Our method incorporates constraints on target metrics and budgets to guide the search towards architectures tailored for each scene. Experiments on the Blender synthetic dataset show the proposed NAS-NeRF can generate architectures up to 5.74$\times$ smaller, with 4.19$\times$ fewer FLOPs, and 1.93$\times$ faster on a GPU than baseline NeRFs, without suffering a drop in SSIM. Furthermore, we illustrate that NAS-NeRF can also achieve architectures up to 23$\times$ smaller, with 22$\times$ fewer FLOPs, and 4.7$\times$ faster than baseline NeRFs with only a 5.3% average SSIM drop. Our source code is also made publicly available at https://saeejithnair.github.io/NAS-NeRF.  ( 2 min )

Obtaining a sufficient forecast lead time for local precipitation is essential in preventing hazardous weather events. Global warming-induced climate change increases the challenge of accurately predicting severe precipitation events, such as heavy rainfall. In this paper, we propose a deep learning-based precipitation post-processor for numerical weather prediction (NWP) models. The precipitation post-processor consists of (i) employing self-supervised pre-training, where the parameters of the encoder are pre-trained on the reconstruction of the masked variables of the atmospheric physics domain; and (ii) conducting transfer learning on precipitation segmentation tasks (the target domain) from the pre-trained encoder. In addition, we introduced a heuristic labeling approach to effectively train class-imbalanced datasets. Our experiments on precipitation correction for regional NWP show that the proposed method outperforms other approaches.  ( 2 min )

The recent explosion of interest in multimodal applications has resulted in a wide selection of datasets and methods for representing and integrating information from different modalities. Despite these empirical advances, there remain fundamental research questions: How can we quantify the interactions that are necessary to solve a multimodal task? Subsequently, what are the most suitable multimodal models to capture these interactions? To answer these questions, we propose an information-theoretic approach to quantify the degree of redundancy, uniqueness, and synergy relating input modalities with an output task. We term these three measures as the PID statistics of a multimodal distribution (or PID for short), and introduce two new estimators for these PID statistics that scale to high-dimensional distributions. To validate PID estimation, we conduct extensive experiments on both synthetic datasets where the PID is known and on large-scale multimodal benchmarks where PID estimations are compared with human annotations. Finally, we demonstrate their usefulness in (1) quantifying interactions within multimodal datasets, (2) quantifying interactions captured by multimodal models, (3) principled approaches for model selection, and (4) three real-world case studies engaging with domain experts in pathology, mood prediction, and robotic perception where our framework helps to recommend strong multimodal models for each application.  ( 3 min )

Graph neural networks (GNNs) and heterogeneous graph neural networks (HGNNs) are prominent techniques for homogeneous and heterogeneous graph representation learning, yet their performance in an end-to-end supervised framework greatly depends on the availability of task-specific supervision. To reduce the labeling cost, pre-training on self-supervised pretext tasks has become a popular paradigm,but there is often a gap between the pre-trained model and downstream tasks, stemming from the divergence in their objectives. To bridge the gap, prompt learning has risen as a promising direction especially in few-shot settings, without the need to fully fine-tune the pre-trained model. While there has been some early exploration of prompt-based learning on graphs, they primarily deal with homogeneous graphs, ignoring the heterogeneous graphs that are prevalent in downstream applications. In this paper, we propose HGPROMPT, a novel pre-training and prompting framework to unify not only pre-training and downstream tasks but also homogeneous and heterogeneous graphs via a dual-template design. Moreover, we propose dual-prompt in HGPROMPT to assist a downstream task in locating the most relevant prior to bridge the gaps caused by not only feature variations but also heterogeneity differences across tasks. Finally, we thoroughly evaluate and analyze HGPROMPT through extensive experiments on three public datasets.  ( 2 min )

In this work we employ machine learning to understand structured mathematical data involving finite groups and derive a theorem about necessary properties of generators of finite simple groups. We create a database of all 2-generated subgroups of the symmetric group on n-objects and conduct a classification of finite simple groups among them using shallow feed-forward neural networks. We show that this neural network classifier can decipher the property of simplicity with varying accuracies depending on the features. Our neural network model leads to a natural conjecture concerning the generators of a finite simple group. We subsequently prove this conjecture. This new toy theorem comments on the necessary properties of generators of finite simple groups. We show this explicitly for a class of sporadic groups for which the result holds. Our work further makes the case for a machine motivated study of algebraic structures in pure mathematics and highlights the possibility of generating new conjectures and theorems in mathematics with the aid of machine learning.  ( 2 min )

Federated learning (FL) has emerged as a promising collaborative and secure paradigm for training a model from decentralized data without compromising privacy. Group fairness and client fairness are two dimensions of fairness that are important for FL. Standard FL can result in disproportionate disadvantages for certain clients, and it still faces the challenge of treating different groups equitably in a population. The problem of privately training fair FL models without compromising the generalization capability of disadvantaged clients remains open. In this paper, we propose a method, called mFairFL, to address this problem and achieve group fairness and client fairness simultaneously. mFairFL leverages differential multipliers to construct an optimization objective for empirical risk minimization with fairness constraints. Before aggregating locally trained models, it first detects conflicts among their gradients, and then iteratively curates the direction and magnitude of gradients to mitigate these conflicts. Theoretical analysis proves mFairFL facilitates the fairness in model development. The experimental evaluations based on three benchmark datasets show significant advantages of mFairFL compared to seven state-of-the-art baselines.

Simulation-based inference (SBI) is constantly in search of more expressive algorithms for accurately inferring the parameters of complex models from noisy data. We present consistency models for neural posterior estimation (CMPE), a new free-form conditional sampler for scalable, fast, and amortized SBI with generative neural networks. CMPE combines the advantages of normalizing flows and flow matching methods into a single generative architecture: It essentially distills a continuous probability flow and enables rapid few-shot inference with an unconstrained architecture that can be tailored to the structure of the estimation problem. Our empirical evaluation demonstrates that CMPE not only outperforms current state-of-the-art algorithms on three hard low-dimensional problems, but also achieves competitive performance in a high-dimensional Bayesian denoising experiment and in estimating a computationally demanding multi-scale model of tumor spheroid growth.

Sampling the phase space of molecular systems -- and, more generally, of complex systems effectively modeled by stochastic differential equations -- is a crucial modeling step in many fields, from protein folding to materials discovery. These problems are often multiscale in nature: they can be described in terms of low-dimensional effective free energy surfaces parametrized by a small number of "slow" reaction coordinates; the remaining "fast" degrees of freedom populate an equilibrium measure on the reaction coordinate values. Sampling procedures for such problems are used to estimate effective free energy differences as well as ensemble averages with respect to the conditional equilibrium distributions; these latter averages lead to closures for effective reduced dynamic models. Over the years, enhanced sampling techniques coupled with molecular simulation have been developed. An intriguing analogy arises with the field of Machine Learning (ML), where Generative Adversarial Networks can produce high dimensional samples from low dimensional probability distributions. This sample generation returns plausible high dimensional space realizations of a model state, from information about its low-dimensional representation. In this work, we present an approach that couples physics-based simulations and biasing methods for sampling conditional distributions with ML-based conditional generative adversarial networks for the same task. The "coarse descriptors" on which we condition the fine scale realizations can either be known a priori, or learned through nonlinear dimensionality reduction. We suggest that this may bring out the best features of both approaches: we demonstrate that a framework that couples cGANs with physics-based enhanced sampling techniques can improve multiscale SDE dynamical systems sampling, and even shows promise for systems of increasing complexity.

Adaptive Cruise Control (ACC) is a widely used driver assistance technology for maintaining the desired speed and safe distance to the leading vehicle. This paper evaluates the security of the deep neural network (DNN) based ACC systems under runtime stealthy perception attacks that strategically inject perturbations into camera data to cause forward collisions. We present a context-aware strategy for the selection of the most critical times for triggering the attacks and a novel optimization-based method for the adaptive generation of image perturbations at runtime. We evaluate the effectiveness of the proposed attack using a publicly available driving dataset, an actual vehicle, and a realistic simulation platform with the control software from a production ACC system, a physical-world driving simulator, and interventions by the human driver and safety features such as Advanced Emergency Braking System (AEBS). Experimental results show that the proposed attack achieves 142.9 times higher success rate in causing hazards and 89.6% higher evasion rate than baselines while being stealthy and robust to real-world factors and dynamic changes in the environment. This study highlights the role of human drivers and basic safety mechanisms in preventing attacks.

The notion of causality assumes a paramount position within the realm of human cognition. Over the past few decades, there has been significant advancement in the domain of causal effect estimation across various disciplines, including but not limited to computer science, medicine, economics, and industrial applications. Given the continued advancements in deep learning methodologies, there has been a notable surge in its utilization for the estimation of causal effects using counterfactual data. Typically, deep causal models map the characteristics of covariates to a representation space and then design various objective functions to estimate counterfactual data unbiasedly. Different from the existing surveys on causal models in machine learning, this review mainly focuses on the overview of the deep causal models, and its core contributions are as follows: 1) we cast insight on a comprehensive overview of deep causal models from both timeline of development and method classification perspectives; 2) we outline some typical applications of causal effect estimation to industry; 3) we also endeavor to present a detailed categorization and analysis on relevant datasets, source codes and experiments.

We develop a neural network architecture which, trained in an unsupervised manner as a denoising diffusion model, simultaneously learns to both generate and segment images. Learning is driven entirely by the denoising diffusion objective, without any annotation or prior knowledge about regions during training. A computational bottleneck, built into the neural architecture, encourages the denoising network to partition an input into regions, denoise them in parallel, and combine the results. Our trained model generates both synthetic images and, by simple examination of its internal predicted partitions, a semantic segmentation of those images. Without any finetuning, we directly apply our unsupervised model to the downstream task of segmenting real images via noising and subsequently denoising them. Experiments demonstrate that our model achieves accurate unsupervised image segmentation and high-quality synthetic image generation across multiple datasets.

Bidirectional attention $\unicode{x2013}$ composed of self-attention with positional encodings and the masked language model (MLM) objective $\unicode{x2013}$ has emerged as a key component of modern large language models (LLMs). Despite its empirical success, few studies have examined its statistical underpinnings: What statistical model is bidirectional attention implicitly fitting? What sets it apart from its non-attention predecessors? We explore these questions in this paper. The key observation is that fitting a single-layer single-head bidirectional attention, upon reparameterization, is equivalent to fitting a continuous bag of words (CBOW) model with mixture-of-experts (MoE) weights. Further, bidirectional attention with multiple heads and multiple layers is equivalent to stacked MoEs and a mixture of MoEs, respectively. This statistical viewpoint reveals the distinct use of MoE in bidirectional attention, which aligns with its practical effectiveness in handling heterogeneous data. It also suggests an immediate extension to categorical tabular data, if we view each word location in a sentence as a tabular feature. Across empirical studies, we find that this extension outperforms existing tabular extensions of transformers in out-of-distribution (OOD) generalization. Finally, this statistical perspective of bidirectional attention enables us to theoretically characterize when linear word analogies are present in its word embeddings. These analyses show that bidirectional attention can require much stronger assumptions to exhibit linear word analogies than its non-attention predecessors.

In this paper, we analyze different methods to mitigate inherent geographical biases present in state of the art image classification models. We first quantitatively present this bias in two datasets - The Dollar Street Dataset and ImageNet, using images with location information. We then present different methods which can be employed to reduce this bias. Finally, we analyze the effectiveness of the different techniques on making these models more robust to geographical locations of the images.

In this paper, we study the system identification problem for linear discrete-time systems under adversaries and analyze two lasso-type estimators. We study both asymptotic and non-asymptotic properties of these estimators in two separate scenarios, corresponding to deterministic and stochastic models for the attack times. Since the samples collected from the system are correlated, the existing results on lasso are not applicable. We show that when the system is stable and the attacks are injected periodically, the sample complexity for the exact recovery of the system dynamics is O(n), where n is the dimension of the states. When the adversarial attacks occur at each time instance with probability p, the required sample complexity for the exact recovery scales as O(\log(n)p/(1-p)^2). This result implies the almost sure convergence to the true system dynamics under the asymptotic regime. As a by-product, even when more than half of the data is compromised, our estimators still learn the system correctly. This paper provides the first mathematical guarantee in the literature on learning from correlated data for dynamical systems in the case when there is less clean data than corrupt data.

Executing contact-rich manipulation tasks necessitates the fusion of tactile and visual feedback. However, the distinct nature of these modalities poses significant challenges. In this paper, we introduce a system that leverages visual and tactile sensory inputs to enable dexterous in-hand manipulation. Specifically, we propose Robot Synesthesia, a novel point cloud-based tactile representation inspired by human tactile-visual synesthesia. This approach allows for the simultaneous and seamless integration of both sensory inputs, offering richer spatial information and facilitating better reasoning about robot actions. The method, trained in a simulated environment and then deployed to a real robot, is applicable to various in-hand object rotation tasks. Comprehensive ablations are performed on how the integration of vision and touch can improve reinforcement learning and Sim2Real performance. Our project page is available at https://yingyuan0414.github.io/visuotactile/ .

Partial-label learning (PLL) relies on a key assumption that the true label of each training example must be in the candidate label set. This restrictive assumption may be violated in complex real-world scenarios, and thus the true label of some collected examples could be unexpectedly outside the assigned candidate label set. In this paper, we term the examples whose true label is outside the candidate label set OOC (out-of-candidate) examples, and pioneer a new PLL study to learn with OOC examples. We consider two types of OOC examples in reality, i.e., the closed-set/open-set OOC examples whose true label is inside/outside the known label space. To solve this new PLL problem, we first calculate the wooden cross-entropy loss from candidate and non-candidate labels respectively, and dynamically differentiate the two types of OOC examples based on specially designed criteria. Then, for closed-set OOC examples, we conduct reversed label disambiguation in the non-candidate label set; for open-set OOC examples, we leverage them for training by utilizing an effective regularization strategy that dynamically assigns random candidate labels from the candidate label set. In this way, the two types of OOC examples can be differentiated and further leveraged for model training. Extensive experiments demonstrate that our proposed method outperforms state-of-the-art PLL methods.

Gradient-based learning in multi-agent systems is difficult because the gradient derives from a first-order model which does not account for the interaction between agents' learning processes. LOLA (arXiv:1709.04326) accounts for this by differentiating through one step of optimization. We propose to judge joint policies by their long-term prospects as measured by the meta-value, a discounted sum over the returns of future optimization iterates. We apply a form of Q-learning to the meta-game of optimization, in a way that avoids the need to explicitly represent the continuous action space of policy updates. The resulting method, MeVa, is consistent and far-sighted, and does not require REINFORCE estimators. We analyze the behavior of our method on a toy game and compare to prior work on repeated matrix games.

The mechanisms behind the success of multi-view self-supervised learning (MVSSL) are not yet fully understood. Contrastive MVSSL methods have been studied through the lens of InfoNCE, a lower bound of the Mutual Information (MI). However, the relation between other MVSSL methods and MI remains unclear. We consider a different lower bound on the MI consisting of an entropy and a reconstruction term (ER), and analyze the main MVSSL families through its lens. Through this ER bound, we show that clustering-based methods such as DeepCluster and SwAV maximize the MI. We also re-interpret the mechanisms of distillation-based approaches such as BYOL and DINO, showing that they explicitly maximize the reconstruction term and implicitly encourage a stable entropy, and we confirm this empirically. We show that replacing the objectives of common MVSSL methods with this ER bound achieves competitive performance, while making them stable when training with smaller batch sizes or smaller exponential moving average (EMA) coefficients. Github repo: https://github.com/apple/ml-entropy-reconstruction.

Managing heterogeneous datasets that vary in complexity, size, and similarity in continual learning presents a significant challenge. Task-agnostic continual learning is necessary to address this challenge, as datasets with varying similarity pose difficulties in distinguishing task boundaries. Conventional task-agnostic continual learning practices typically rely on rehearsal or regularization techniques. However, rehearsal methods may struggle with varying dataset sizes and regulating the importance of old and new data due to rigid buffer sizes. Meanwhile, regularization methods apply generic constraints to promote generalization but can hinder performance when dealing with dissimilar datasets lacking shared features, necessitating a more adaptive approach. In this paper, we propose AdaptCL, a novel adaptive continual learning method to tackle heterogeneity in sequential datasets. AdaptCL employs fine-grained data-driven pruning to adapt to variations in data complexity and dataset size. It also utilizes task-agnostic parameter isolation to mitigate the impact of varying degrees of catastrophic forgetting caused by differences in data similarity. Through a two-pronged case study approach, we evaluate AdaptCL on both datasets of MNIST Variants and DomainNet, as well as datasets from different domains. The latter include both large-scale, diverse binary-class datasets and few-shot, multi-class datasets. Across all these scenarios, AdaptCL consistently exhibits robust performance, demonstrating its flexibility and general applicability in handling heterogeneous datasets.

Transformer-based large language models (LLMs) are constrained by the fixed context window of the underlying transformer architecture, hindering their ability to produce long and logically consistent code. Memory-augmented LLMs are a promising solution, but current approaches cannot handle long code generation tasks since they (1) only focus on reading memory and reduce its evolution to the concatenation of new memories or (2) use very specialized memories that cannot adapt to other domains. This paper presents L2MAC, the first practical LLM-based stored-program automatic computer for long and consistent code generation. Its memory has two components: the instruction registry, which is populated with a prompt program to solve the user-given task, and a file store, which will contain the final and intermediate outputs. Each instruction is executed by a separate LLM instance, whose context is managed by a control unit capable of precise memory reading and writing to ensure effective interaction with the file store. These components enable L2MAC to generate virtually unbounded code structures, bypassing the constraints of the finite context window while producing code that fulfills complex user-specified requirements. We empirically show that L2MAC succeeds in generating large code bases for system design tasks where other coding methods fall short in implementing user requirements and provide insight into the reasons for this performance gap.

We propose a time series forecasting method named Quantum Gramian Angular Field (QGAF). This approach merges the advantages of quantum computing technology with deep learning, aiming to enhance the precision of time series classification and forecasting. We successfully transformed stock return time series data into two-dimensional images suitable for Convolutional Neural Network (CNN) training by designing specific quantum circuits. Distinct from the classical Gramian Angular Field (GAF) approach, QGAF's uniqueness lies in eliminating the need for data normalization and inverse cosine calculations, simplifying the transformation process from time series data to two-dimensional images. To validate the effectiveness of this method, we conducted experiments on datasets from three major stock markets: the China A-share market, the Hong Kong stock market, and the US stock market. Experimental results revealed that compared to the classical GAF method, the QGAF approach significantly improved time series prediction accuracy, reducing prediction errors by an average of 25% for Mean Absolute Error (MAE) and 48% for Mean Squared Error (MSE). This research confirms the potential and promising prospects of integrating quantum computing with deep learning techniques in financial time series forecasting.

A central challenge in quantum machine learning is the design and training of parameterized quantum circuits (PQCs). Similar to deep learning, vanishing gradients pose immense problems in the trainability of PQCs, which have been shown to arise from a multitude of sources. One such cause are non-local loss functions, that demand the measurement of a large subset of involved qubits. To facilitate the parameter training for quantum applications using global loss functions, we propose a Sequential Hamiltonian Assembly, which iteratively approximates the loss function using local components. Aiming for a prove of principle, we evaluate our approach using Graph Coloring problem with a Varational Quantum Eigensolver (VQE). Simulation results show, that our approach outperforms conventional parameter training by 29.99% and the empirical state of the art, Layerwise Learning, by 5.12% in the mean accuracy. This paves the way towards locality-aware learning techniques, allowing to evade vanishing gradients for a large class of practically relevant problems.

Measuring geometric similarity between high-dimensional network representations is a topic of longstanding interest to neuroscience and deep learning. Although many methods have been proposed, only a few works have rigorously analyzed their statistical efficiency or quantified estimator uncertainty in data-limited regimes. Here, we derive upper and lower bounds on the worst-case convergence of standard estimators of shape distance$\unicode{x2014}$a measure of representational dissimilarity proposed by Williams et al. (2021).These bounds reveal the challenging nature of the problem in high-dimensional feature spaces. To overcome these challenges, we introduce a new method-of-moments estimator with a tunable bias-variance tradeoff. We show that this estimator achieves substantially lower bias than standard estimators in simulation and on neural data, particularly in high-dimensional settings. Thus, we lay the foundation for a rigorous statistical theory for high-dimensional shape analysis, and we contribute a new estimation method that is well-suited to practical scientific settings.

This work reports the empirical performance of an automated medical landmark detection method for predict clinical markers in hip radiograph images. Notably, the detection method was trained using a label-only augmentation scheme; our results indicate that this form of augmentation outperforms traditional data augmentation and produces highly sample efficient estimators. We train a generic U-Net-based architecture under a curriculum consisting of two phases: initially relaxing the landmarking task by enlarging the label points to regions, then gradually eroding these label regions back to the base task. We measure the benefits of this approach on six datasets of radiographs with gold-standard expert annotations.

In this paper, we present JADE, a targeted linguistic fuzzing platform which strengthens the linguistic complexity of seed questions to simultaneously and consistently break a wide range of widely-used LLMs categorized in three groups: eight open-sourced Chinese, six commercial Chinese and four commercial English LLMs. JADE generates three safety benchmarks for the three groups of LLMs, which contain unsafe questions that are highly threatening: the questions simultaneously trigger harmful generation of multiple LLMs, with an average unsafe generation ratio of $70\%$ (please see the table below), while are still natural questions, fluent and preserving the core unsafe semantics. We release the benchmark demos generated for commercial English LLMs and open-sourced English LLMs in the following link: https://github.com/whitzard-ai/jade-db. For readers who are interested in evaluating on more questions generated by JADE, please contact us. JADE is based on Noam Chomsky's seminal theory of transformational-generative grammar. Given a seed question with unsafe intention, JADE invokes a sequence of generative and transformational rules to increment the complexity of the syntactic structure of the original question, until the safety guardrail is broken. Our key insight is: Due to the complexity of human language, most of the current best LLMs can hardly recognize the invariant evil from the infinite number of different syntactic structures which form an unbound example space that can never be fully covered. Technically, the generative/transformative rules are constructed by native speakers of the languages, and, once developed, can be used to automatically grow and transform the parse tree of a given question, until the guardrail is broken. For more evaluation results and demo, please check our website: https://whitzard-ai.github.io/jade.html.

Detecting system anomalies based on log data is important for ensuring the security and reliability of computer systems. Recently, deep learning models have been widely used for log anomaly detection. The core idea is to model the log sequences as natural language and adopt deep sequential models, such as LSTM or Transformer, to encode the normal patterns in log sequences via language modeling. However, there is a gap between language modeling and anomaly detection as the objective of training a sequential model via a language modeling loss is not directly related to anomaly detection. To fill up the gap, we propose LogGPT, a novel framework that employs GPT for log anomaly detection. LogGPT is first trained to predict the next log entry based on the preceding sequence. To further enhance the performance of LogGPT, we propose a novel reinforcement learning strategy to finetune the model specifically for the log anomaly detection task. The experimental results on three datasets show that LogGPT significantly outperforms existing state-of-the-art approaches.

Causal representation learning has emerged as the center of action in causal machine learning research. In particular, multi-domain datasets present a natural opportunity for showcasing the advantages of causal representation learning over standard unsupervised representation learning. While recent works have taken crucial steps towards learning causal representations, they often lack applicability to multi-domain datasets due to over-simplifying assumptions about the data; e.g. each domain comes from a different single-node perfect intervention. In this work, we relax these assumptions and capitalize on the following observation: there often exists a subset of latents whose certain distributional properties (e.g., support, variance) remain stable across domains; this property holds when, for example, each domain comes from a multi-node imperfect intervention. Leveraging this observation, we show that autoencoders that incorporate such invariances can provably identify the stable set of latents from the rest across different settings.

Neural architecture search (NAS) has gained significant traction in automating the design of neural networks. To reduce the time cost, differentiable architecture search (DAS) transforms the traditional paradigm of discrete candidate sampling and evaluation into that of differentiable super-net optimization and discretization. However, existing DAS methods fail to trade off between model performance and model size. They either only conduct coarse-grained operation-level search, which results in redundant model parameters, or restrictively explore fine-grained filter-level and weight-level units with pre-defined remaining ratios, suffering from excessive pruning problem. Additionally, these methods compromise search quality to save memory during the search process. To tackle these issues, we introduce multi-granularity architecture search (MGAS), a unified framework which aims to discover both effective and efficient neural networks by comprehensively yet memory-efficiently exploring the multi-granularity search space. Specifically, we improve the existing DAS methods in two aspects. First, we balance the model unit numbers at different granularity levels with adaptive pruning. We learn discretization functions specific to each granularity level to adaptively determine the unit remaining ratio according to the evolving architecture. Second, we reduce the memory consumption without degrading the search quality using multi-stage search. We break down the super-net optimization and discretization into multiple sub-net stages, and perform progressive re-evaluation to allow for re-pruning and regrowing of previous units during subsequent stages, compensating for potential bias. Extensive experiments on CIFAR-10, CIFAR-100 and ImageNet demonstrate that MGAS outperforms other state-of-the-art methods in achieving a better trade-off between model performance and model size.

We prove a few representer theorems for a localised version of the regularised and multiview support vector machine learning problem introduced by H.Q.~Minh, L.~Bazzani, and V.~Murino, \textit{Journal of Machine Learning Research}, \textbf{17}(2016) 1--72, that involves operator valued positive semidefinite kernels and their reproducing kernel Hilbert spaces. The results concern general cases when convex or nonconvex loss functions and finite or infinite dimensional input spaces are considered. We show that the general framework allows infinite dimensional input spaces and nonconvex loss functions for some special cases, in particular in case the loss functions are G\^ateaux differentiable. Detailed calculations are provided for the exponential least squares loss functions that leads to partially nonlinear problems.

Sharpness-aware minimization (SAM) and related adversarial deep-learning methods can drastically improve generalization, but their underlying mechanisms are not yet fully understood. Here, we establish SAM as a relaxation of the Bayes objective where the expected negative-loss is replaced by the optimal convex lower bound, obtained by using the so-called Fenchel biconjugate. The connection enables a new Adam-like extension of SAM to automatically obtain reasonable uncertainty estimates, while sometimes also improving its accuracy. By connecting adversarial and Bayesian methods, our work opens a new path to robustness.

In deep learning theory, the covariance matrix of the representations serves as a proxy to examine the network's trainability. Motivated by the success of Transformers, we study the covariance matrix of a modified Softmax-based attention model with skip connections in the proportional limit of infinite-depth-and-width. We show that at initialization the limiting distribution can be described by a stochastic differential equation (SDE) indexed by the depth-to-width ratio. To achieve a well-defined stochastic limit, the Transformer's attention mechanism is modified by centering the Softmax output at identity, and scaling the Softmax logits by a width-dependent temperature parameter. We examine the stability of the network through the corresponding SDE, showing how the scale of both the drift and diffusion can be elegantly controlled with the aid of residual connections. The existence of a stable SDE implies that the covariance structure is well-behaved, even for very large depth and width, thus preventing the notorious issues of rank degeneracy in deep attention models. Finally, we show, through simulations, that the SDE provides a surprisingly good description of the corresponding finite-size model. We coin the name shaped Transformer for these architectural modifications.

A key limitation preventing the wider adoption of autonomous agents trained via deep reinforcement learning (RL) is their limited ability to generalise to new environments, even when these share similar characteristics with environments encountered during training. In this work, we investigate how a non-uniform sampling strategy of individual environment instances, or levels, affects the zero-shot generalisation (ZSG) ability of RL agents, considering two failure modes: overfitting and over-generalisation. As a first step, we measure the mutual information (MI) between the agent's internal representation and the set of training levels, which we find to be well-correlated to instance overfitting. In contrast to uniform sampling, adaptive sampling strategies prioritising levels based on their value loss are more effective at maintaining lower MI, which provides a novel theoretical justification for this class of techniques. We then turn our attention to unsupervised environment design (UED) methods, which adaptively generate new training levels and minimise MI more effectively than methods sampling from a fixed set. However, we find UED methods significantly shift the training distribution, resulting in over-generalisation and worse ZSG performance over the distribution of interest. To prevent both instance overfitting and over-generalisation, we introduce self-supervised environment design (SSED). SSED generates levels using a variational autoencoder, effectively reducing MI while minimising the shift with the distribution of interest, and leads to statistically significant improvements in ZSG over fixed-set level sampling strategies and UED methods.

Generative models for molecules based on sequential line notation (e.g. SMILES) or graph representation have attracted an increasing interest in the field of structure-based drug design, but they struggle to capture important 3D spatial interactions and often produce undesirable molecular structures. To address these challenges, we introduce Lingo3DMol, a pocket-based 3D molecule generation method that combines language models and geometric deep learning technology. A new molecular representation, fragment-based SMILES with local and global coordinates, was developed to assist the model in learning molecular topologies and atomic spatial positions. Additionally, we trained a separate noncovalent interaction predictor to provide essential binding pattern information for the generative model. Lingo3DMol can efficiently traverse drug-like chemical spaces, preventing the formation of unusual structures. The Directory of Useful Decoys-Enhanced (DUD-E) dataset was used for evaluation. Lingo3DMol outperformed state-of-the-art methods in terms of drug-likeness, synthetic accessibility, pocket binding mode, and molecule generation speed.

Informational parsimony provides a useful inductive bias for learning representations that achieve better generalization by being robust to noise and spurious correlations. We propose \textit{information gating} as a way to learn parsimonious representations that identify the minimal information required for a task. When gating information, we can learn to reveal as little information as possible so that a task remains solvable, or hide as little information as possible so that a task becomes unsolvable. We gate information using a differentiable parameterization of the signal-to-noise ratio, which can be applied to arbitrary values in a network, e.g., erasing pixels at the input layer or activations in some intermediate layer. When gating at the input layer, our models learn which visual cues matter for a given task. When gating intermediate layers, our models learn which activations are needed for subsequent stages of computation. We call our approach \textit{InfoGating}. We apply InfoGating to various objectives such as multi-step forward and inverse dynamics models, Q-learning, and behavior cloning, highlighting how InfoGating can naturally help in discarding information not relevant for control. Results show that learning to identify and use minimal information can improve generalization in downstream tasks. Policies based on InfoGating are considerably more robust to irrelevant visual features, leading to improved pretraining and finetuning of RL models.

Hamilton-Jacobi partial differential equations (HJ PDEs) have deep connections with a wide range of fields, including optimal control, differential games, and imaging sciences. By considering the time variable to be a higher dimensional quantity, HJ PDEs can be extended to the multi-time case. In this paper, we establish a novel theoretical connection between specific optimization problems arising in machine learning and the multi-time Hopf formula, which corresponds to a representation of the solution to certain multi-time HJ PDEs. Through this connection, we increase the interpretability of the training process of certain machine learning applications by showing that when we solve these learning problems, we also solve a multi-time HJ PDE and, by extension, its corresponding optimal control problem. As a first exploration of this connection, we develop the relation between the regularized linear regression problem and the Linear Quadratic Regulator (LQR). We then leverage our theoretical connection to adapt standard LQR solvers (namely, those based on the Riccati ordinary differential equations) to design new training approaches for machine learning. Finally, we provide some numerical examples that demonstrate the versatility and possible computational advantages of our Riccati-based approach in the context of continual learning, post-training calibration, transfer learning, and sparse dynamics identification.

How neuronal circuits achieve credit assignment remains a central unsolved question in systems neuroscience. Various studies have suggested plausible solutions for back-propagating error signals through multi-layer networks. These purely functionally motivated models assume distinct neuronal compartments to represent local error signals that determine the sign of synaptic plasticity. However, this explicit error modulation is inconsistent with phenomenological plasticity models in which the sign depends primarily on postsynaptic activity. Here we show how a plausible microcircuit model and Hebbian learning rule derived within an adaptive control theory framework can resolve this discrepancy. Assuming errors are encoded in top-down dis-inhibitory synaptic afferents, we show that error-modulated learning emerges naturally at the circuit level when recurrent inhibition explicitly influences Hebbian plasticity. The same learning rule accounts for experimentally observed plasticity in the absence of inhibition and performs comparably to back-propagation of error (BP) on several non-linearly separable benchmarks. Our findings bridge the gap between functional and experimentally observed plasticity rules and make concrete predictions on inhibitory modulation of excitatory plasticity.

This paper investigates how representation learning can enable optimal control in unknown and complex dynamics, such as chaotic and non-linear systems, without relying on prior domain knowledge of the dynamics. The core idea is to establish an equivariant geometry that is diffeomorphic to the manifold defined by a dynamical system and to perform optimal control within this corresponding geometry, which is a non-trivial task. To address this challenge, Koopman Embed to Equivariant Control (KEEC) is proposed for model learning and control. Inspired by Lie theory, KEEC begins by learning a non-linear dynamical system defined on a manifold and embedding trajectories into a Lie group. Subsequently, KEEC formulates an equivariant value function equation in reinforcement learning on the equivariant geometry, ensuring an invariant effect as the value function on the original manifold. By deriving analytical-form optimal actions on the equivariant value function, KEEC theoretically achieves quadratic convergence for the optimal equivariant value function by leveraging the differential information on the equivariant geometry. The effectiveness of KEEC is demonstrated in challenging dynamical systems, including chaotic ones like Lorenz-63. Notably, our results show that isometric functions, which maintain the compactness and completeness of geometry while preserving metric and differential information, consistently outperform loss functions lacking these characteristics.

Language agents, which use a large language model (LLM) capable of in-context learning to interact with an external environment, have recently emerged as a promising approach to control tasks. We present the first language-agent approach to formal theorem-proving. Our method, COPRA, uses a high-capacity, black-box LLM (GPT-4) as part of a policy for a stateful backtracking search. During the search, the policy can select proof tactics and retrieve lemmas and definitions from an external database. Each selected tactic is executed in the underlying proof framework, and the execution feedback is used to build the prompt for the next policy invocation. The search also tracks selected information from its history and uses it to reduce hallucinations and unnecessary LLM queries. We evaluate our implementation of COPRA on the miniF2F benchmark for Lean and a set of Coq tasks from the Compcert project. On these benchmarks, COPRA significantly outperforms one-shot invocations of GPT-4, as well as state-of-the-art models fine-tuned on proof data, at finding correct proofs quickly. Our code and data are available at https://github.com/trishullab/copra.

Diffusion models have emerged as a prominent class of generative models, surpassing previous methods regarding sample quality and training stability. Recent works have shown the advantages of diffusion models in improving reinforcement learning (RL) solutions, including as trajectory planners, expressive policy classes, data synthesizers, etc. This survey aims to provide an overview of the advancements in this emerging field and hopes to inspire new avenues of research. First, we examine several challenges encountered by current RL algorithms. Then, we present a taxonomy of existing methods based on the roles played by diffusion models in RL and explore how the existing challenges are addressed. We further outline successful applications of diffusion models in various RL-related tasks while discussing the limitations of current approaches. Finally, we conclude the survey and offer insights into future research directions, focusing on enhancing model performance and applying diffusion models to broader tasks. We are actively maintaining a GitHub repository for papers and other related resources in applying diffusion models in RL: https://github.com/apexrl/Diff4RLSurvey

Human cognition operates on a "Global-first" cognitive mechanism, prioritizing information processing based on coarse-grained details. This mechanism inherently possesses an adaptive multi-granularity description capacity, resulting in computational traits such as efficiency, robustness, and interpretability. The analysis pattern reliance on the finest granularity and single-granularity makes most existing computational methods less efficient, robust, and interpretable, which is an important reason for the current lack of interpretability in neural networks. Multi-granularity granular-ball computing employs granular-balls of varying sizes to daptively represent and envelop the sample space, facilitating learning based on these granular-balls. Given that the number of coarse-grained "granular-balls" is fewer than sample points, granular-ball computing proves more efficient. Moreover, the inherent coarse-grained nature of granular-balls reduces susceptibility to fine-grained sample disturbances, enhancing robustness. The multi-granularity construct of granular-balls generates topological structures and coarse-grained descriptions, naturally augmenting interpretability. Granular-ball computing has successfully ventured into diverse AI domains, fostering the development of innovative theoretical methods, including granular-ball classifiers, clustering techniques, neural networks, rough sets, and evolutionary computing. This has notably ameliorated the efficiency, noise robustness, and interpretability of traditional methods. Overall, granular-ball computing is a rare and innovative theoretical approach in AI that can adaptively and simultaneously enhance efficiency, robustness, and interpretability. This article delves into the main application landscapes for granular-ball computing, aiming to equip future researchers with references and insights to refine and expand this promising theory.

In this paper, we present a sharper version of the results in the paper Dimension independent bounds for general shallow networks; Neural Networks, \textbf{123} (2020), 142-152. Let $\mathbb{X}$ and $\mathbb{Y}$ be compact metric spaces. We consider approximation of functions of the form $ x\mapsto\int_{\mathbb{Y}} G( x, y)d\tau( y)$, $ x\in\mathbb{X}$, by $G$-networks of the form $ x\mapsto \sum_{k=1}^n a_kG( x, y_k)$, $ y_1,\cdots, y_n\in\mathbb{Y}$, $a_1,\cdots, a_n\in\mathbb{R}$. Defining the dimensions of $\mathbb{X}$ and $\mathbb{Y}$ in terms of covering numbers, we obtain dimension independent bounds on the degree of approximation in terms of $n$, where also the constants involved are all dependent at most polynomially on the dimensions. Applications include approximation by power rectified linear unit networks, zonal function networks, certain radial basis function networks as well as the important problem of function extension to higher dimensional spaces.

Policy gradient methods have become a standard for training reinforcement learning agents in a scalable and efficient manner. However, they do not account for transition uncertainty, whereas learning robust policies can be computationally expensive. In this paper, we introduce robust policy gradient (RPG), a policy-based method that efficiently solves rectangular robust Markov decision processes (MDPs). We provide a closed-form expression for the worst occupation measure. Incidentally, we find that the worst kernel is a rank-one perturbation of the nominal. Combining the worst occupation measure with a robust Q-value estimation yields an explicit form of the robust gradient. Our resulting RPG can be estimated from data with the same time complexity as its non-robust equivalent. Hence, it relieves the computational burden of convex optimization problems required for training robust policies by current policy gradient approaches.

Density functional theory (DFT) stands as a cornerstone method in computational quantum chemistry and materials science due to its remarkable versatility and scalability. Yet, it suffers from limitations in accuracy, particularly when dealing with strongly correlated systems. To address these shortcomings, recent work has begun to explore how machine learning can expand the capabilities of DFT; an endeavor with many open questions and technical challenges. In this work, we present Grad DFT: a fully differentiable JAX-based DFT library, enabling quick prototyping and experimentation with machine learning-enhanced exchange-correlation energy functionals. Grad DFT employs a pioneering parametrization of exchange-correlation functionals constructed using a weighted sum of energy densities, where the weights are determined using neural networks. Moreover, Grad DFT encompasses a comprehensive suite of auxiliary functions, notably featuring a just-in-time compilable and fully differentiable self-consistent iterative procedure. To support training and benchmarking efforts, we additionally compile a curated dataset of experimental dissociation energies of dimers, half of which contain transition metal atoms characterized by strong electronic correlations. The software library is tested against experimental results to study the generalization capabilities of a neural functional across potential energy surfaces and atomic species, as well as the effect of training data noise on the resulting model accuracy.

Social media platforms, despite their value in promoting open discourse, are often exploited to spread harmful content. Current deep learning and natural language processing models used for detecting this harmful content overly rely on domain-specific terms affecting their capabilities to adapt to generalizable hate speech detection. This is because they tend to focus too narrowly on particular linguistic signals or the use of certain categories of words. Another significant challenge arises when platforms lack high-quality annotated data for training, leading to a need for cross-platform models that can adapt to different distribution shifts. Our research introduces a cross-platform hate speech detection model capable of being trained on one platform's data and generalizing to multiple unseen platforms. To achieve good generalizability across platforms, one way is to disentangle the input representations into invariant and platform-dependent features. We also argue that learning causal relationships, which remain constant across diverse environments, can significantly aid in understanding invariant representations in hate speech. By disentangling input into platform-dependent features (useful for predicting hate targets) and platform-independent features (used to predict the presence of hate), we learn invariant representations resistant to distribution shifts. These features are then used to predict hate speech across unseen platforms. Our extensive experiments across four platforms highlight our model's enhanced efficacy compared to existing state-of-the-art methods in detecting generalized hate speech.

We present Integrated Multimodal Perception (IMP), a simple and scalable multimodal multi-task training and modeling approach. IMP integrates multimodal inputs including image, video, text, and audio into a single Transformer encoder with minimal modality-specific components. IMP makes use of a novel design that combines Alternating Gradient Descent (AGD) and Mixture-of-Experts (MoE) for efficient model and task scaling. We conduct extensive empirical studies and reveal the following key insights: 1) Performing gradient descent updates by alternating on diverse modalities, loss functions, and tasks, with varying input resolutions, efficiently improves the model. 2) Sparsification with MoE on a single modality-agnostic encoder substantially improves the performance, outperforming dense models that use modality-specific encoders or additional fusion layers and greatly mitigates the conflicts between modalities. IMP achieves competitive performance on a wide range of downstream tasks including video classification, image classification, image-text, and video-text retrieval. Most notably, we train a sparse IMP-MoE-L variant focusing on video tasks that achieves new state-of-the-art in zero-shot video classification: 77.0% on Kinetics-400, 76.8% on Kinetics-600, and 68.3% on Kinetics-700, improving the previous state-of-the-art by +5%, +6.7%, and +5.8%, respectively, while using only 15% of their total training computational cost.

Interpolation of aliased seismic data constitutes a key step in a seismic processing workflow to obtain high quality velocity models and seismic images. Building on the idea of describing seismic wavefields as a superposition of local plane waves, we propose to interpolate seismic data by utilizing a physics informed neural network (PINN). In the proposed framework, two feed-forward neural networks are jointly trained using the local plane wave differential equation as well as the available data as two terms in the objective function: a primary network assisted by positional encoding is tasked with reconstructing the seismic data, whilst an auxiliary, smaller network estimates the associated local slopes. Results on synthetic and field data validate the effectiveness of the proposed method in handling aliased (coarsely sampled) data and data with large gaps. Our method compares favorably against a classic least-squares inversion approach regularized by the local plane-wave equation as well as a PINN-based approach with a single network and pre-computed local slopes. We find that introducing a second network to estimate the local slopes whilst at the same time interpolating the aliased data enhances the overall reconstruction capabilities and convergence behavior of the primary network. Moreover, an additional positional encoding layer embedded as the first layer of the wavefield network confers to the network the ability to converge faster improving the accuracy of the data term.

Current perceptual similarity metrics operate at the level of pixels and patches. These metrics compare images in terms of their low-level colors and textures, but fail to capture mid-level similarities and differences in image layout, object pose, and semantic content. In this paper, we develop a perceptual metric that assesses images holistically. Our first step is to collect a new dataset of human similarity judgments over image pairs that are alike in diverse ways. Critical to this dataset is that judgments are nearly automatic and shared by all observers. To achieve this we use recent text-to-image models to create synthetic pairs that are perturbed along various dimensions. We observe that popular perceptual metrics fall short of explaining our new data, and we introduce a new metric, DreamSim, tuned to better align with human perception. We analyze how our metric is affected by different visual attributes, and find that it focuses heavily on foreground objects and semantic content while also being sensitive to color and layout. Notably, despite being trained on synthetic data, our metric generalizes to real images, giving strong results on retrieval and reconstruction tasks. Furthermore, our metric outperforms both prior learned metrics and recent large vision models on these tasks.

In this paper, we introduce a new class of parameterized controllers, drawing inspiration from Model Predictive Control (MPC). These controllers adopt a Quadratic Programming (QP) structure similar to linear MPC, with problem parameters being learned rather than derived from models. This approach may address the limitations of commonly learned controllers with Multi-Layer Perceptron (MLP) architecture in deep reinforcement learning, in terms of explainability and performance guarantees. The learned controllers not only possess verifiable properties like persistent feasibility and asymptotic stability akin to MPC, but they also empirically match MPC and MLP controllers in control performance. Moreover, they are more computationally efficient in implementation compared to MPC and require significantly fewer learnable policy parameters than MLP controllers. Practical application is demonstrated through a vehicle drift maneuvering task, showcasing the potential of these controllers in real-world scenarios.

Algorithmic recommender systems such as Spotify and Netflix affect not only consumer behavior but also producer incentives. Producers seek to create content that will be shown by the recommendation algorithm, which can impact both the diversity and quality of their content. In this work, we investigate the resulting supply-side equilibria in personalized content recommender systems. We model users and content as $D$-dimensional vectors, the recommendation algorithm as showing each user the content with highest dot product, and producers as maximizing the number of users who are recommended their content minus the cost of production. Two key features of our model are that the producer decision space is multi-dimensional and the user base is heterogeneous, which contrasts with classical low-dimensional models. Multi-dimensionality and heterogeneity create the potential for specialization, where different producers create different types of content at equilibrium. Using a duality argument, we derive necessary and sufficient conditions for whether specialization occurs: these conditions depend on the extent to which users are heterogeneous and to which producers can perform well on all dimensions at once without incurring a high cost. Then, we characterize the distribution of content at equilibrium in concrete settings with two populations of users. Lastly, we show that specialization can enable producers to achieve positive profit at equilibrium, which means that specialization can reduce the competitiveness of the marketplace. At a conceptual level, our analysis of supply-side competition takes a step towards elucidating how personalized recommendations shape the marketplace of digital goods, and towards understanding what new phenomena arise in multi-dimensional competitive settings.

With the rapid growth in model size, fine-tuning the large pre-trained language model has become increasingly difficult due to its extensive memory usage. Previous works usually focus on reducing the number of trainable parameters in the network. While the model parameters do contribute to memory usage, the primary memory bottleneck during training arises from storing feature maps, also known as activations, as they are crucial for gradient calculation. Notably, neural networks are usually trained using stochastic gradient descent. We argue that in stochastic optimization, models can handle noisy gradients as long as the gradient estimator is unbiased with reasonable variance. Following this motivation, we propose a new family of unbiased estimators called WTA-CRS, for matrix production with reduced variance, which only requires storing the sub-sampled activations for calculating the gradient. Our work provides both theoretical and experimental evidence that, in the context of tuning transformers, our proposed estimators exhibit lower variance compared to existing ones. By replacing the linear operation with our approximated one in transformers, we can achieve up to 2.7$\times$ peak memory reduction with almost no accuracy drop and enables up to $6.4\times$ larger batch size. Under the same hardware, WTA-CRS enables better down-streaming task performance by applying larger models and/or faster training speed with larger batch sizes.

We study robust reinforcement learning (RL) with the goal of determining a well-performing policy that is robust against model mismatch between the training simulator and the testing environment. Previous policy-based robust RL algorithms mainly focus on the tabular setting under uncertainty sets that facilitate robust policy evaluation, but are no longer tractable when the number of states scales up. To this end, we propose two novel uncertainty set formulations, one based on double sampling and the other on an integral probability metric. Both make large-scale robust RL tractable even when one only has access to a simulator. We propose a robust natural actor-critic (RNAC) approach that incorporates the new uncertainty sets and employs function approximation. We provide finite-time convergence guarantees for the proposed RNAC algorithm to the optimal robust policy within the function approximation error. Finally, we demonstrate the robust performance of the policy learned by our proposed RNAC approach in multiple MuJoCo environments and a real-world TurtleBot navigation task.

Community Question Answering (CQA) platforms steadily gain popularity as they provide users with fast responses to their queries. The swiftness of these responses is contingent on a mixture of query-specific and user-related elements. This paper scrutinizes these contributing factors within the context of six highly popular CQA platforms, identified through their standout answering speed. Our investigation reveals a correlation between the time taken to yield the first response to a question and several variables: the metadata, the formulation of the questions, and the level of interaction among users. Additionally, by employing conventional machine learning models to analyze these metadata and patterns of user interaction, we endeavor to predict which queries will receive their initial responses promptly.

Discovering causal structure from purely observational data (i.e., causal discovery), aiming to identify causal relationships among variables, is a fundamental task in machine learning. The recent invention of differentiable score-based DAG learners is a crucial enabler, which reframes the combinatorial optimization problem into a differentiable optimization with a DAG constraint over directed graph space. Despite their great success, these cutting-edge DAG learners incorporate DAG-ness independent score functions to evaluate the directed graph candidates, lacking in considering graph structure. As a result, measuring the data fitness alone regardless of DAG-ness inevitably leads to discovering suboptimal DAGs and model vulnerabilities. Towards this end, we propose a dynamic causal space for DAG structure learning, coined CASPER, that integrates the graph structure into the score function as a new measure in the causal space to faithfully reflect the causal distance between estimated and ground truth DAG. CASPER revises the learning process as well as enhances the DAG structure learning via adaptive attention to DAG-ness. Grounded by empirical visualization, CASPER, as a space, satisfies a series of desired properties, such as structure awareness and noise robustness. Extensive experiments on both synthetic and real-world datasets clearly validate the superiority of our CASPER over the state-of-the-art causal discovery methods in terms of accuracy and robustness.

Prior to the deep learning era, \textit{shape} was commonly used to describe the objects. Nowadays, state-of-the-art (SOTA) algorithms in medical imaging are predominantly diverging from computer vision, where voxel grids, meshes, point clouds, and implicit surface models are used. This is seen from numerous shape-related publications in premier vision conferences as well as the growing popularity of \textit{ShapeNet} (about 51,300 models) and \textit{Princeton ModelNet} (127,915 models). For the medical domain, we present a large collection of anatomical shapes (e.g., bones, organs, vessels) and 3D models of surgical instrument, called \textit{MedShapeNet}, created to facilitate the translation of data-driven vision algorithms to medical applications and to adapt SOTA vision algorithms to medical problems. As a unique feature, we directly model the majority of shapes on the imaging data of real patients. As of today, \textit{MedShapeNet} includes 23 dataset with more than 100,000 shapes that are paired with annotations (ground truth). Our data is freely accessible via a web interface and a Python application programming interface (API) and can be used for discriminative, reconstructive, and variational benchmarks as well as various applications in virtual, augmented, or mixed reality, and 3D printing. Exemplary, we present use cases in the fields of classification of brain tumors, facial and skull reconstructions, multi-class anatomy completion, education, and 3D printing. In future, we will extend the data and improve the interfaces. The project pages are: \url{https://medshapenet.ikim.nrw/} and \url{https://github.com/Jianningli/medshapenet-feedback}

Predictive process monitoring is an evolving research field that studies how to train and use predictive models for operational decision-making. One of the problems studied in this field is that of predicting the sequence of upcoming activities in a case up to its completion, a.k.a. the case suffix. The prediction of case suffixes provides input to estimate short-term workloads and execution times under different resource schedules. Existing methods to address this problem often generate suffixes wherein some activities are repeated many times, whereas this pattern is not observed in the data. Closer examination shows that this shortcoming stems from the approach used to sample the successive activity instances to generate a case suffix. Accordingly, the paper introduces a sampling approach aimed at reducing repetitions of activities in the predicted case suffixes. The approach, namely Daemon action, strikes a balance between exploration and exploitation when generating the successive activity instances. We enhance a deep learning approach for case suffix predictions using this sampling approach, and experimentally show that the enhanced approach outperforms the unenhanced ones with respect to control-flow accuracy measures.

This paper studies robust nonparametric regression, in which an adversarial attacker can modify the values of up to $q$ samples from a training dataset of size $N$. Our initial solution is an M-estimator based on Huber loss minimization. Compared with simple kernel regression, i.e. the Nadaraya-Watson estimator, this method can significantly weaken the impact of malicious samples on the regression performance. We provide the convergence rate as well as the corresponding minimax lower bound. The result shows that, with proper bandwidth selection, $\ell_\infty$ error is minimax optimal. The $\ell_2$ error is optimal with relatively small $q$, but is suboptimal with larger $q$. The reason is that this estimator is vulnerable if there are many attacked samples concentrating in a small region. To address this issue, we propose a correction method by projecting the initial estimate to the space of Lipschitz functions. The final estimate is nearly minimax optimal for arbitrary $q$, up to a $\ln N$ factor.

In the ever-expanding landscape of the IoT, managing the intricate network of interconnected devices presents a fundamental challenge. This leads us to ask: "What if we invite the IoT devices to collaboratively participate in real-time network management and IoT data-handling decisions?" This inquiry forms the foundation of our innovative approach, addressing the burgeoning complexities in IoT through the integration of NTN architecture, in particular, VHetNet, and an MT-HFL framework. VHetNets transcend traditional network paradigms by harmonizing terrestrial and non-terrestrial elements, thus ensuring expansive connectivity and resilience, especially crucial in areas with limited terrestrial infrastructure. The incorporation of MT-HFL further revolutionizes this architecture, distributing intelligent data processing across a multi-tiered network spectrum, from edge devices on the ground to aerial platforms and satellites above. This study explores MT-HFL's role in fostering a decentralized, collaborative learning environment, enabling IoT devices to not only contribute but also make informed decisions in network management. This methodology adeptly handles the challenges posed by the non-IID nature of IoT data and efficiently curtails communication overheads prevalent in extensive IoT networks. Significantly, MT-HFL enhances data privacy, a paramount aspect in IoT ecosystems, by facilitating local data processing and limiting the sharing of model updates instead of raw data. By evaluating a case-study, our findings demonstrate that the synergistic integration of MT-HFL within VHetNets creates an intelligent network architecture that is robust, scalable, and dynamically adaptive to the ever-changing demands of IoT environments. This setup ensures efficient data handling, advanced privacy and security measures, and responsive adaptability to fluctuating network conditions.

Despite the dominance and effectiveness of scaling, resulting in large networks with hundreds of billions of parameters, the necessity to train overparameterized models remains poorly understood, while training costs grow exponentially. In this paper, we explore parameter-efficient training techniques as an approach to training large neural networks. We introduce a novel method called ReLoRA, which utilizes low-rank updates to train high-rank networks. We apply ReLoRA to training transformer language models with up to 1.3B parameters and demonstrate comparable performance to regular neural network training. ReLoRA saves up to 5.5Gb of RAM per GPU and improves training speed by 9-40% depending on the model size and hardware setup. Our findings show the potential of parameter-efficient techniques for large-scale pre-training.

In this work we make progress in understanding the relationship between learning models with access to entangled, separable and statistical measurements in the quantum statistical query (QSQ) model. To this end, we show the following results. $\textbf{Entangled versus separable measurements.}$ The goal here is to learn an unknown $f$ from the concept class $C\subseteq \{f:\{0,1\}^n\rightarrow [k]\}$ given copies of $\frac{1}{\sqrt{2^n}}\sum_x \vert x,f(x)\rangle$. We show that, if $T$ copies suffice to learn $f$ using entangled measurements, then $O(nT^2)$ copies suffice to learn $f$ using just separable measurements. $\textbf{Entangled versus statistical measurements}$ The goal here is to learn a function $f \in C$ given access to separable measurements and statistical measurements. We exhibit a class $C$ that gives an exponential separation between QSQ learning and quantum learning with entangled measurements (even in the presence of noise). This proves the "quantum analogue" of the seminal result of Blum et al. [BKW'03]. that separates classical SQ and PAC learning with classification noise. $\textbf{QSQ lower bounds for learning states.}$ We introduce a quantum statistical query dimension (QSD), which we use to give lower bounds on the QSQ learning. With this we prove superpolynomial QSQ lower bounds for testing purity, shadow tomography, Abelian hidden subgroup problem, degree-$2$ functions, planted bi-clique states and output states of Clifford circuits of depth $\textsf{polylog}(n)$. $\textbf{Further applications.}$ We give and $\textit{unconditional}$ separation between weak and strong error mitigation and prove lower bounds for learning distributions in the QSQ model. Prior works by Quek et al. [QFK+'22], Hinsche et al. [HIN+'22], and Nietner et al. [NIS+'23] proved the analogous results $\textit{assuming}$ diagonal measurements and our work removes this assumption.

Knowledge distillation is a popular approach for enhancing the performance of ''student'' models, with lower representational capacity, by taking advantage of more powerful ''teacher'' models. Despite its apparent simplicity and widespread use, the underlying mechanics behind knowledge distillation (KD) are still not fully understood. In this work, we shed new light on the inner workings of this method, by examining it from an optimization perspective. We show that, in the context of linear and deep linear models, KD can be interpreted as a novel type of stochastic variance reduction mechanism. We provide a detailed convergence analysis of the resulting dynamics, which hold under standard assumptions for both strongly-convex and non-convex losses, showing that KD acts as a form of partial variance reduction, which can reduce the stochastic gradient noise, but may not eliminate it completely, depending on the properties of the ''teacher'' model. Our analysis puts further emphasis on the need for careful parametrization of KD, in particular w.r.t. the weighting of the distillation loss, and is validated empirically on both linear models and deep neural networks.

We identify incremental learning dynamics in transformers, where the difference between trained and initial weights progressively increases in rank. We rigorously prove this occurs under the simplifying assumptions of diagonal weight matrices and small initialization. Our experiments support the theory and also show that phenomenon can occur in practice without the simplifying assumptions.

Maize, a crucial crop globally cultivated across vast regions, especially in sub-Saharan Africa, Asia, and Latin America, occupies 197 million hectares as of 2021. Various statistical and machine learning models, including mixed-effect models, random coefficients models, random forests, and deep learning architectures, have been devised to predict maize yield. These models consider factors such as genotype, environment, genotype-environment interaction, and field management. However, the existing models often fall short of fully exploiting the complex network of causal relationships among these factors and the hierarchical structure inherent in agronomic data. This study introduces an innovative approach integrating random effects into Bayesian networks (BNs), leveraging their capacity to model causal and probabilistic relationships through directed acyclic graphs. Rooted in the linear mixed-effects models framework and tailored for hierarchical data, this novel approach demonstrates enhanced BN learning. Application to a real-world agronomic trial produces a model with improved interpretability, unveiling new causal connections. Notably, the proposed method significantly reduces the error rate in maize yield prediction from 28% to 17%. These results advocate for the preference of BNs in constructing practical decision support tools for hierarchical agronomic data, facilitating causal inference.

Unrolled computation graphs are prevalent throughout machine learning but present challenges to automatic differentiation (AD) gradient estimation methods when their loss functions exhibit extreme local sensitivtiy, discontinuity, or blackbox characteristics. In such scenarios, online evolution strategies methods are a more capable alternative, while being more parallelizable than vanilla evolution strategies (ES) by interleaving partial unrolls and gradient updates. In this work, we propose a general class of unbiased online evolution strategies methods. We analytically and empirically characterize the variance of this class of gradient estimators and identify the one with the least variance, which we term Noise-Reuse Evolution Strategies (NRES). Experimentally, we show NRES results in faster convergence than existing AD and ES methods in terms of wall-clock time and number of unroll steps across a variety of applications, including learning dynamical systems, meta-training learned optimizers, and reinforcement learning.

Federated Learning (FL) is a collaborative learning framework that enables edge devices to collaboratively learn a global model while keeping raw data locally. Although FL avoids leaking direct information from local datasets, sensitive information can still be inferred from the shared models. To address the privacy issue in FL, differential privacy (DP) mechanisms are leveraged to provide formal privacy guarantee. However, when deploying FL at the wireless edge with over-the-air computation, ensuring client-level DP faces significant challenges. In this paper, we propose a novel wireless FL scheme called private federated edge learning with sparsification (PFELS) to provide client-level DP guarantee with intrinsic channel noise while reducing communication and energy overhead and improving model accuracy. The key idea of PFELS is for each device to first compress its model update and then adaptively design the transmit power of the compressed model update according to the wireless channel status without any artificial noise addition. We provide a privacy analysis for PFELS and prove the convergence of PFELS under general non-convex and non-IID settings. Experimental results show that compared with prior work, PFELS can improve the accuracy with the same DP guarantee and save communication and energy costs simultaneously.

This paper introduces a modular framework for Mixed-variable and Combinatorial Bayesian Optimization (MCBO) to address the lack of systematic benchmarking and standardized evaluation in the field. Current MCBO papers often introduce non-diverse or non-standard benchmarks to evaluate their methods, impeding the proper assessment of different MCBO primitives and their combinations. Additionally, papers introducing a solution for a single MCBO primitive often omit benchmarking against baselines that utilize the same methods for the remaining primitives. This omission is primarily due to the significant implementation overhead involved, resulting in a lack of controlled assessments and an inability to showcase the merits of a contribution effectively. To overcome these challenges, our proposed framework enables an effortless combination of Bayesian Optimization components, and provides a diverse set of synthetic and real-world benchmarking tasks. Leveraging this flexibility, we implement 47 novel MCBO algorithms and benchmark them against seven existing MCBO solvers and five standard black-box optimization algorithms on ten tasks, conducting over 4000 experiments. Our findings reveal a superior combination of MCBO primitives outperforming existing approaches and illustrate the significance of model fit and the use of a trust region. We make our MCBO library available under the MIT license at \url{https://github.com/huawei-noah/HEBO/tree/master/MCBO}.

Inferring causal structure from data is a challenging task of fundamental importance in science. Observational data are often insufficient to identify a system's causal structure uniquely. While conducting interventions (i.e., experiments) can improve the identifiability, such samples are usually challenging and expensive to obtain. Hence, experimental design approaches for causal discovery aim to minimize the number of interventions by estimating the most informative intervention target. In this work, we propose a novel Gradient-based Intervention Targeting method, abbreviated GIT, that 'trusts' the gradient estimator of a gradient-based causal discovery framework to provide signals for the intervention acquisition function. We provide extensive experiments in simulated and real-world datasets and demonstrate that GIT performs on par with competitive baselines, surpassing them in the low-data regime.

Simulation with realistic, interactive agents represents a key task for autonomous vehicle software development. In this work, we introduce the Waymo Open Sim Agents Challenge (WOSAC). WOSAC is the first public challenge to tackle this task and propose corresponding metrics. The goal of the challenge is to stimulate the design of realistic simulators that can be used to evaluate and train a behavior model for autonomous driving. We outline our evaluation methodology, present results for a number of different baseline simulation agent methods, and analyze several submissions to the 2023 competition which ran from March 16, 2023 to May 23, 2023. The WOSAC evaluation server remains open for submissions and we discuss open problems for the task.

Graph Neural Networks (GNNs) have received increasing attention due to their ability to learn from graph-structured data. To open the black-box of these deep learning models, post-hoc instance-level explanation methods have been proposed to understand GNN predictions. These methods seek to discover substructures that explain the prediction behavior of a trained GNN. In this paper, we show analytically that for a large class of explanation tasks, conventional approaches, which are based on the principle of graph information bottleneck (GIB), admit trivial solutions that do not align with the notion of explainability. Instead, we argue that a modified GIB principle may be used to avoid the aforementioned trivial solutions. We further introduce a novel factorized explanation model with theoretical performance guarantees. The modified GIB is used to analyze the structural properties of the proposed factorized explainer. We conduct extensive experiments on both synthetic and real-world datasets to validate the effectiveness of our proposed factorized explainer over existing approaches.

Traffic congestion has been a major challenge in many urban road networks. Extensive research studies have been conducted to highlight traffic-related congestion and address the issue using data-driven approaches. Currently, most traffic congestion analyses are done using simulation software that offers limited insight due to the limitations in the tools and utilities being used to render various traffic congestion scenarios. All that impacts the formulation of custom business problems which vary from place to place and country to country. By exploiting the power of the knowledge graph, we model a traffic congestion problem into the Neo4j graph and then use the load balancing, optimization algorithm to identify congestion-free road networks. We also show how traffic propagates backward in case of congestion or accident scenarios and its overall impact on other segments of the roads. We also train a sequential RNN-LSTM (Long Short-Term Memory) deep learning model on the real-time traffic data to assess the accuracy of simulation results based on a road-specific congestion. Our results show that graph-based traffic simulation, supplemented by AI ML-based traffic prediction can be more effective in estimating the congestion level in a road network.

While the general machine learning (ML) community has benefited from public datasets, tasks, and models, the progress of ML in healthcare has been hampered by a lack of such shared assets. The success of foundation models creates new challenges for healthcare ML by requiring access to shared pretrained models to validate performance benefits. We help address these challenges through three contributions. First, we publish a new dataset, EHRSHOT, which contains deidentified structured data from the electronic health records (EHRs) of 6,739 patients from Stanford Medicine. Unlike MIMIC-III/IV and other popular EHR datasets, EHRSHOT is longitudinal and not restricted to ICU/ED patients. Second, we publish the weights of CLMBR-T-base, a 141M parameter clinical foundation model pretrained on the structured EHR data of 2.57M patients. We are one of the first to fully release such a model for coded EHR data; in contrast, most prior models released for clinical data (e.g. GatorTron, ClinicalBERT) only work with unstructured text and cannot process the rich, structured data within an EHR. We provide an end-to-end pipeline for the community to validate and build upon its performance. Third, we define 15 few-shot clinical prediction tasks, enabling evaluation of foundation models on benefits such as sample efficiency and task adaptation. Our model and dataset are available via a research data use agreement from our website: https://ehrshot.stanford.edu. Code to reproduce our results are available at our Github repo: https://github.com/som-shahlab/ehrshot-benchmark